
------------------------------------------------------------------------
 Wannier coefficient for spin  1
------------------------------------------------------------------------

WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00226344923983
                5p
                   -1 :               0.00857377689437
                   +0 :               0.00893488001339
                   +1 :               0.00857377689437
                6s
                   +0 :               0.00154497560091
                7s
                   +0 :              -0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :               0.00036441093333
                   +0 :              -0.01012216972724
                   +1 :               0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :               0.00032853399901
                   +0 :               0.00052838577335
                   +1 :               0.00032853399901
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00077072415626
                   +0 :               0.00031671508694
                   +1 :               0.00077072415626
                4f
                   -3 :               0.00367229976592
                   -2 :               0.00683080253908
                   -1 :              -0.00257765786125
                   +0 :              -0.00571189947104
                   +1 :              -0.00257765786125
                   +2 :              -0.00000000000000
                   +3 :              -0.00367229976592
              2 vec=    -3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00226344923983
                5p
                   -1 :               0.00857377689437
                   +0 :              -0.00893488001339
                   +1 :              -0.00857377689437
                6s
                   +0 :              -0.00154497560091
                7s
                   +0 :               0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :               0.00036441093333
                   +0 :               0.01012216972724
                   +1 :              -0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :               0.00032853399901
                   +0 :              -0.00052838577335
                   +1 :              -0.00032853399901
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00077072415626
                   +0 :              -0.00031671508694
                   +1 :              -0.00077072415626
                4f
                   -3 :               0.00367229976592
                   -2 :               0.00683080253908
                   -1 :              -0.00257765786125
                   +0 :               0.00571189947104
                   +1 :               0.00257765786125
                   +2 :              -0.00000000000000
                   +3 :               0.00367229976592
              3 vec=     3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00226344923983
                5p
                   -1 :              -0.00857377689437
                   +0 :              -0.00893488001339
                   +1 :               0.00857377689437
                6s
                   +0 :              -0.00154497560091
                7s
                   +0 :               0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :              -0.00036441093333
                   +0 :               0.01012216972724
                   +1 :               0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :              -0.00032853399901
                   +0 :              -0.00052838577335
                   +1 :               0.00032853399901
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00077072415626
                   +0 :              -0.00031671508694
                   +1 :               0.00077072415626
                4f
                   -3 :              -0.00367229976592
                   -2 :               0.00683080253908
                   -1 :               0.00257765786125
                   +0 :               0.00571189947104
                   +1 :              -0.00257765786125
                   +2 :              -0.00000000000000
                   +3 :              -0.00367229976592
              4 vec=     3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00226344923983
                5p
                   -1 :              -0.00857377689437
                   +0 :               0.00893488001339
                   +1 :              -0.00857377689437
                6s
                   +0 :               0.00154497560091
                7s
                   +0 :              -0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :              -0.00036441093333
                   +0 :              -0.01012216972724
                   +1 :              -0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :              -0.00032853399901
                   +0 :               0.00052838577335
                   +1 :              -0.00032853399901
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00077072415626
                   +0 :               0.00031671508694
                   +1 :              -0.00077072415626
                4f
                   -3 :              -0.00367229976592
                   -2 :               0.00683080253908
                   -1 :               0.00257765786125
                   +0 :              -0.00571189947104
                   +1 :               0.00257765786125
                   +2 :              -0.00000000000000
                   +3 :               0.00367229976592
              5 vec=     0.000000      0.000000      9.013109   |vec|=    9.013109
                5p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00171299541516
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00036928374163
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00083006316175
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              6 vec=    -7.146377      0.000000      9.013109   |vec|=   11.502471
                5p
                   -1 :               0.00024998973549
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :              -0.00017024561570
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :               0.00018859705874
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00019180154634
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00032045530128
                   -2 :               0.00017751175772
                   -1 :              -0.00032911221580
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
              7 vec=     0.000000     -7.146377      9.013109   |vec|=   11.502471
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00024998973549
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017024561570
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00018859705874
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00019180154634
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00017751175772
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00032911221580
                   +2 :              -0.00000000000000
                   +3 :              -0.00032045530128
              8 vec=     0.000000      7.146377      9.013109   |vec|=   11.502471
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00024998973549
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00017024561570
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00018859705874
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00019180154634
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00017751175772
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00032911221580
                   +2 :               0.00000000000000
                   +3 :               0.00032045530128
              9 vec=     7.146377      0.000000      9.013109   |vec|=   11.502471
                5p
                   -1 :              -0.00024998973549
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :               0.00017024561570
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :              -0.00018859705874
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00019180154634
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00032045530128
                   -2 :               0.00017751175772
                   -1 :               0.00032911221580
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             10 vec=   -10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :               0.00016027067459
                   +0 :              -0.00032099743935
                   +1 :               0.00026395561684
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00044255498316
                   +0 :              -0.00082535025788
                   +1 :              -0.00104050933396
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00010469724283
                   +0 :               0.00021708850756
                   +1 :               0.00006082673540
                   +2 :              -0.00005609351036
                6p
                   -1 :               0.00000607434830
                   +0 :              -0.00010309411044
                   +1 :              -0.00001762418599
                4f
                   -3 :               0.00021019845660
                   -2 :               0.00003252331779
                   -1 :               0.00017790762977
                   +0 :              -0.00004807731779
                   +1 :              -0.00065774511521
                   +2 :              -0.00034922154295
                   +3 :               0.00009499944492
             11 vec=   -10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :               0.00016027067459
                   +0 :               0.00032099743935
                   +1 :              -0.00026395561684
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00044255498316
                   +0 :               0.00082535025788
                   +1 :               0.00104050933396
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00010469724283
                   +0 :              -0.00021708850756
                   +1 :              -0.00006082673540
                   +2 :               0.00005609351036
                6p
                   -1 :               0.00000607434830
                   +0 :               0.00010309411044
                   +1 :               0.00001762418599
                4f
                   -3 :               0.00021019845660
                   -2 :               0.00003252331779
                   -1 :               0.00017790762977
                   +0 :               0.00004807731779
                   +1 :               0.00065774511521
                   +2 :               0.00034922154295
                   +3 :              -0.00009499944492
             12 vec=    -3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :               0.00026395561684
                   +0 :              -0.00032099743935
                   +1 :               0.00016027067459
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00104050933396
                   +0 :              -0.00082535025788
                   +1 :               0.00044255498316
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00006082673540
                   +0 :               0.00021708850756
                   +1 :              -0.00010469724283
                   +2 :               0.00005609351036
                6p
                   -1 :              -0.00001762418599
                   +0 :              -0.00010309411044
                   +1 :               0.00000607434830
                4f
                   -3 :              -0.00009499944492
                   -2 :               0.00003252331779
                   -1 :              -0.00065774511521
                   +0 :              -0.00004807731779
                   +1 :               0.00017790762977
                   +2 :               0.00034922154295
                   +3 :              -0.00021019845660
             13 vec=    -3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :               0.00026395561684
                   +0 :               0.00032099743935
                   +1 :              -0.00016027067459
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00104050933396
                   +0 :               0.00082535025788
                   +1 :              -0.00044255498316
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00006082673540
                   +0 :              -0.00021708850756
                   +1 :               0.00010469724283
                   +2 :              -0.00005609351036
                6p
                   -1 :              -0.00001762418599
                   +0 :               0.00010309411044
                   +1 :              -0.00000607434830
                4f
                   -3 :              -0.00009499944492
                   -2 :               0.00003252331779
                   -1 :              -0.00065774511521
                   +0 :               0.00004807731779
                   +1 :              -0.00017790762977
                   +2 :              -0.00034922154295
                   +3 :               0.00021019845660
             14 vec=     3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :              -0.00026395561684
                   +0 :               0.00032099743935
                   +1 :               0.00016027067459
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00104050933396
                   +0 :               0.00082535025788
                   +1 :               0.00044255498316
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00006082673540
                   +0 :              -0.00021708850756
                   +1 :              -0.00010469724283
                   +2 :              -0.00005609351036
                6p
                   -1 :               0.00001762418599
                   +0 :               0.00010309411044
                   +1 :               0.00000607434830
                4f
                   -3 :               0.00009499944492
                   -2 :               0.00003252331779
                   -1 :               0.00065774511521
                   +0 :               0.00004807731779
                   +1 :               0.00017790762977
                   +2 :              -0.00034922154295
                   +3 :              -0.00021019845660
             15 vec=     3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :              -0.00026395561684
                   +0 :              -0.00032099743935
                   +1 :              -0.00016027067459
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00104050933396
                   +0 :              -0.00082535025788
                   +1 :              -0.00044255498316
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00006082673540
                   +0 :               0.00021708850756
                   +1 :               0.00010469724283
                   +2 :               0.00005609351036
                6p
                   -1 :               0.00001762418599
                   +0 :              -0.00010309411044
                   +1 :              -0.00000607434830
                4f
                   -3 :               0.00009499944492
                   -2 :               0.00003252331779
                   -1 :               0.00065774511521
                   +0 :              -0.00004807731779
                   +1 :              -0.00017790762977
                   +2 :               0.00034922154295
                   +3 :               0.00021019845660
             16 vec=    10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :              -0.00016027067459
                   +0 :               0.00032099743935
                   +1 :               0.00026395561684
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00044255498316
                   +0 :               0.00082535025788
                   +1 :              -0.00104050933396
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00010469724283
                   +0 :              -0.00021708850756
                   +1 :               0.00006082673540
                   +2 :               0.00005609351036
                6p
                   -1 :              -0.00000607434830
                   +0 :               0.00010309411044
                   +1 :              -0.00001762418599
                4f
                   -3 :              -0.00021019845660
                   -2 :               0.00003252331779
                   -1 :              -0.00017790762977
                   +0 :               0.00004807731779
                   +1 :              -0.00065774511521
                   +2 :               0.00034922154295
                   +3 :               0.00009499944492
             17 vec=    10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :              -0.00016027067459
                   +0 :              -0.00032099743935
                   +1 :              -0.00026395561684
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00044255498316
                   +0 :              -0.00082535025788
                   +1 :               0.00104050933396
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00010469724283
                   +0 :               0.00021708850756
                   +1 :              -0.00006082673540
                   +2 :              -0.00005609351036
                6p
                   -1 :              -0.00000607434830
                   +0 :              -0.00010309411044
                   +1 :               0.00001762418599
                4f
                   -3 :              -0.00021019845660
                   -2 :               0.00003252331779
                   -1 :              -0.00017790762977
                   +0 :              -0.00004807731779
                   +1 :               0.00065774511521
                   +2 :              -0.00034922154295
                   +3 :              -0.00009499944492
             18 vec=    -7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00019961269471
                5p
                   -1 :              -0.00015278868278
                   +0 :               0.00010315210476
                   +1 :              -0.00015278868278
                6s
                   +0 :               0.00009019954770
                7s
                   +0 :               0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :               0.00033941166883
                   +0 :               0.00025448132996
                   +1 :               0.00033941166883
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :              -0.00006043477025
                   +0 :              -0.00006119041598
                   +1 :              -0.00006043477025
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00005286471274
                   +0 :              -0.00001152039460
                   +1 :              -0.00005286471274
                4f
                   -3 :              -0.00006333634641
                   -2 :              -0.00002154891890
                   -1 :              -0.00003033726174
                   +0 :              -0.00000452819813
                   +1 :              -0.00003033726174
                   +2 :              -0.00000000000000
                   +3 :               0.00006333634641
             19 vec=    -7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00019961269471
                5p
                   -1 :              -0.00015278868278
                   +0 :              -0.00010315210476
                   +1 :               0.00015278868278
                6s
                   +0 :              -0.00009019954770
                7s
                   +0 :              -0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :               0.00033941166883
                   +0 :              -0.00025448132996
                   +1 :              -0.00033941166883
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :              -0.00006043477025
                   +0 :               0.00006119041598
                   +1 :               0.00006043477025
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00005286471274
                   +0 :               0.00001152039460
                   +1 :               0.00005286471274
                4f
                   -3 :              -0.00006333634641
                   -2 :              -0.00002154891890
                   -1 :              -0.00003033726174
                   +0 :               0.00000452819813
                   +1 :               0.00003033726174
                   +2 :               0.00000000000000
                   +3 :              -0.00006333634641
             20 vec=     7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00019961269471
                5p
                   -1 :               0.00015278868278
                   +0 :              -0.00010315210476
                   +1 :              -0.00015278868278
                6s
                   +0 :              -0.00009019954770
                7s
                   +0 :              -0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :              -0.00033941166883
                   +0 :              -0.00025448132996
                   +1 :               0.00033941166883
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :               0.00006043477025
                   +0 :               0.00006119041598
                   +1 :              -0.00006043477025
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00005286471274
                   +0 :               0.00001152039460
                   +1 :              -0.00005286471274
                4f
                   -3 :               0.00006333634641
                   -2 :              -0.00002154891890
                   -1 :               0.00003033726174
                   +0 :               0.00000452819813
                   +1 :              -0.00003033726174
                   +2 :              -0.00000000000000
                   +3 :               0.00006333634641
             21 vec=     7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00019961269471
                5p
                   -1 :               0.00015278868278
                   +0 :               0.00010315210476
                   +1 :               0.00015278868278
                6s
                   +0 :               0.00009019954770
                7s
                   +0 :               0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :              -0.00033941166883
                   +0 :               0.00025448132996
                   +1 :              -0.00033941166883
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :               0.00006043477025
                   +0 :              -0.00006119041598
                   +1 :               0.00006043477025
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00005286471274
                   +0 :              -0.00001152039460
                   +1 :               0.00005286471274
                4f
                   -3 :               0.00006333634641
                   -2 :              -0.00002154891890
                   -1 :               0.00003033726174
                   +0 :              -0.00000452819813
                   +1 :               0.00003033726174
                   +2 :               0.00000000000000
                   +3 :              -0.00006333634641
             22 vec=   -10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00006893359715
                5p
                   -1 :              -0.00002444709183
                   +0 :              -0.00009492550564
                   +1 :              -0.00002444709183
                6s
                   +0 :               0.00024790277541
                7s
                   +0 :              -0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :              -0.00022678203758
                   +0 :              -0.00008488136408
                   +1 :              -0.00022678203758
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :               0.00004184403296
                   +0 :              -0.00001687512334
                   +1 :               0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001377933368
                   +0 :              -0.00005583011588
                   +1 :              -0.00001377933368
                4f
                   -3 :               0.00000968788810
                   -2 :               0.00005569981205
                   -1 :              -0.00005572349502
                   +0 :               0.00004197313705
                   +1 :              -0.00005572349502
                   +2 :              -0.00000000000000
                   +3 :              -0.00000968788810
             23 vec=   -10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00006893359715
                5p
                   -1 :              -0.00002444709183
                   +0 :               0.00009492550564
                   +1 :               0.00002444709183
                6s
                   +0 :              -0.00024790277541
                7s
                   +0 :               0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :              -0.00022678203758
                   +0 :               0.00008488136408
                   +1 :               0.00022678203758
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :               0.00004184403296
                   +0 :               0.00001687512334
                   +1 :              -0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001377933368
                   +0 :               0.00005583011588
                   +1 :               0.00001377933368
                4f
                   -3 :               0.00000968788810
                   -2 :               0.00005569981205
                   -1 :              -0.00005572349502
                   +0 :              -0.00004197313705
                   +1 :               0.00005572349502
                   +2 :               0.00000000000000
                   +3 :               0.00000968788810
             24 vec=    10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00006893359715
                5p
                   -1 :               0.00002444709183
                   +0 :               0.00009492550564
                   +1 :              -0.00002444709183
                6s
                   +0 :              -0.00024790277541
                7s
                   +0 :               0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :               0.00022678203758
                   +0 :               0.00008488136408
                   +1 :              -0.00022678203758
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :              -0.00004184403296
                   +0 :               0.00001687512334
                   +1 :               0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001377933368
                   +0 :               0.00005583011588
                   +1 :              -0.00001377933368
                4f
                   -3 :              -0.00000968788810
                   -2 :               0.00005569981205
                   -1 :               0.00005572349502
                   +0 :              -0.00004197313705
                   +1 :              -0.00005572349502
                   +2 :               0.00000000000000
                   +3 :              -0.00000968788810
             25 vec=    10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00006893359715
                5p
                   -1 :               0.00002444709183
                   +0 :              -0.00009492550564
                   +1 :               0.00002444709183
                6s
                   +0 :               0.00024790277541
                7s
                   +0 :              -0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :               0.00022678203758
                   +0 :              -0.00008488136408
                   +1 :               0.00022678203758
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :              -0.00004184403296
                   +0 :              -0.00001687512334
                   +1 :              -0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001377933368
                   +0 :              -0.00005583011588
                   +1 :               0.00001377933368
                4f
                   -3 :              -0.00000968788810
                   -2 :               0.00005569981205
                   -1 :               0.00005572349502
                   +0 :               0.00004197313705
                   +1 :               0.00005572349502
                   +2 :              -0.00000000000000
                   +3 :               0.00000968788810
             26 vec=     0.000000      0.000000    -16.023305   |vec|=   16.023305
                5p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :               0.00035331973348
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000535481331
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00031044356446
                   -1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             27 vec=   -14.292755      0.000000      9.013109   |vec|=   16.897307
                5p
                   -1 :              -0.00002545653551
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :              -0.00002175323738
                   +0 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :               0.00003047205342
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00002970369794
                   +0 :              -0.00000000000000
                4f
                   -3 :               0.00001215217570
                   -2 :              -0.00002048004886
                   -1 :              -0.00003422810579
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             28 vec=     0.000000    -14.292755      9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002545653551
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002175323738
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003047205342
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002970369794
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00002048004886
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003422810579
                   +2 :              -0.00000000000000
                   +3 :              -0.00001215217570
             29 vec=     0.000000     14.292755      9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002545653551
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002175323738
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003047205342
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002970369794
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00002048004886
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00003422810579
                   +2 :               0.00000000000000
                   +3 :               0.00001215217570
             30 vec=    14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00002545653551
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :               0.00002175323738
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :              -0.00003047205342
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00002970369794
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00001215217570
                   -2 :              -0.00002048004886
                   -1 :               0.00003422810579
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             31 vec=    -7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00004046180424
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :               0.00004306591498
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :              -0.00002041595074
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000506441257
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00009117772632
                   -2 :              -0.00013983988216
                   -1 :              -0.00002940141667
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             32 vec=     0.000000     -7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00004046180424
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004306591498
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002041595074
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000506441257
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00013983988216
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002940141667
                   +2 :               0.00000000000000
                   +3 :               0.00009117772632
             33 vec=     0.000000      7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004046180424
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00004306591498
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002041595074
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000506441257
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00013983988216
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002940141667
                   +2 :              -0.00000000000000
                   +3 :              -0.00009117772632
             34 vec=     7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00004046180424
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :              -0.00004306591498
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :               0.00002041595074
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000506441257
                   +0 :              -0.00000000000000
                4f
                   -3 :               0.00009117772632
                   -2 :              -0.00013983988216
                   -1 :               0.00002940141667
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00226344923983
                5p
                   -1 :               0.00857377689437
                   +0 :              -0.00893488001339
                   +1 :               0.00857377689437
                6s
                   +0 :               0.00154497560091
                7s
                   +0 :              -0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :              -0.00036441093333
                   +0 :              -0.01012216972724
                   +1 :              -0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :              -0.00032853399901
                   +0 :               0.00052838577335
                   +1 :              -0.00032853399901
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00077072415626
                   +0 :              -0.00031671508694
                   +1 :               0.00077072415626
                4f
                   -3 :               0.00367229976592
                   -2 :              -0.00683080253908
                   -1 :              -0.00257765786125
                   +0 :               0.00571189947104
                   +1 :              -0.00257765786125
                   +2 :               0.00000000000000
                   +3 :              -0.00367229976592
              2 vec=    -3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00226344923983
                5p
                   -1 :               0.00857377689437
                   +0 :               0.00893488001339
                   +1 :              -0.00857377689437
                6s
                   +0 :              -0.00154497560091
                7s
                   +0 :               0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :              -0.00036441093333
                   +0 :               0.01012216972724
                   +1 :               0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :              -0.00032853399901
                   +0 :              -0.00052838577335
                   +1 :               0.00032853399901
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00077072415626
                   +0 :               0.00031671508694
                   +1 :              -0.00077072415626
                4f
                   -3 :               0.00367229976592
                   -2 :              -0.00683080253908
                   -1 :              -0.00257765786125
                   +0 :              -0.00571189947104
                   +1 :               0.00257765786125
                   +2 :               0.00000000000000
                   +3 :               0.00367229976592
              3 vec=     3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00226344923983
                5p
                   -1 :              -0.00857377689437
                   +0 :               0.00893488001339
                   +1 :               0.00857377689437
                6s
                   +0 :              -0.00154497560091
                7s
                   +0 :               0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :               0.00036441093333
                   +0 :               0.01012216972724
                   +1 :              -0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :               0.00032853399901
                   +0 :              -0.00052838577335
                   +1 :              -0.00032853399901
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00077072415626
                   +0 :               0.00031671508694
                   +1 :               0.00077072415626
                4f
                   -3 :              -0.00367229976592
                   -2 :              -0.00683080253908
                   -1 :               0.00257765786125
                   +0 :              -0.00571189947104
                   +1 :              -0.00257765786125
                   +2 :               0.00000000000000
                   +3 :              -0.00367229976592
              4 vec=     3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00226344923983
                5p
                   -1 :              -0.00857377689437
                   +0 :              -0.00893488001339
                   +1 :              -0.00857377689437
                6s
                   +0 :               0.00154497560091
                7s
                   +0 :              -0.00077195034823
                5d
                   -2 :               0.01048900112813
                   -1 :               0.00036441093333
                   +0 :              -0.01012216972724
                   +1 :               0.00036441093333
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00011770554494
                   -1 :               0.00032853399901
                   +0 :               0.00052838577335
                   +1 :               0.00032853399901
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00077072415626
                   +0 :              -0.00031671508694
                   +1 :              -0.00077072415626
                4f
                   -3 :              -0.00367229976592
                   -2 :              -0.00683080253908
                   -1 :               0.00257765786125
                   +0 :               0.00571189947104
                   +1 :               0.00257765786125
                   +2 :               0.00000000000000
                   +3 :               0.00367229976592
              5 vec=     0.000000      0.000000     -9.013109   |vec|=    9.013109
                5p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :              -0.00171299541516
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00036928374163
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00083006316175
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              6 vec=    -7.146377      0.000000     -9.013109   |vec|=   11.502471
                5p
                   -1 :               0.00024998973549
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :               0.00017024561570
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :              -0.00018859705874
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00019180154634
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00032045530128
                   -2 :              -0.00017751175772
                   -1 :              -0.00032911221580
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              7 vec=     0.000000     -7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00024998973549
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00017024561570
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00018859705874
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00019180154634
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00017751175772
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00032911221580
                   +2 :              -0.00000000000000
                   +3 :              -0.00032045530128
              8 vec=     0.000000      7.146377     -9.013109   |vec|=   11.502471
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00024998973549
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017024561570
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00018859705874
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00019180154634
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00017751175772
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00032911221580
                   +2 :               0.00000000000000
                   +3 :               0.00032045530128
              9 vec=     7.146377      0.000000     -9.013109   |vec|=   11.502471
                5p
                   -1 :              -0.00024998973549
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00081670196581
                   -1 :              -0.00017024561570
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00009634419302
                   -1 :               0.00018859705874
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00019180154634
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00032045530128
                   -2 :              -0.00017751175772
                   -1 :               0.00032911221580
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             10 vec=   -10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :               0.00016027067459
                   +0 :               0.00032099743935
                   +1 :               0.00026395561684
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00044255498316
                   +0 :              -0.00082535025788
                   +1 :               0.00104050933396
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00010469724283
                   +0 :               0.00021708850756
                   +1 :              -0.00006082673540
                   +2 :              -0.00005609351036
                6p
                   -1 :               0.00000607434830
                   +0 :               0.00010309411044
                   +1 :              -0.00001762418599
                4f
                   -3 :               0.00021019845660
                   -2 :              -0.00003252331779
                   -1 :               0.00017790762977
                   +0 :               0.00004807731779
                   +1 :              -0.00065774511521
                   +2 :               0.00034922154295
                   +3 :               0.00009499944492
             11 vec=   -10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :               0.00016027067459
                   +0 :              -0.00032099743935
                   +1 :              -0.00026395561684
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00044255498316
                   +0 :               0.00082535025788
                   +1 :              -0.00104050933396
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00010469724283
                   +0 :              -0.00021708850756
                   +1 :               0.00006082673540
                   +2 :               0.00005609351036
                6p
                   -1 :               0.00000607434830
                   +0 :              -0.00010309411044
                   +1 :               0.00001762418599
                4f
                   -3 :               0.00021019845660
                   -2 :              -0.00003252331779
                   -1 :               0.00017790762977
                   +0 :              -0.00004807731779
                   +1 :               0.00065774511521
                   +2 :              -0.00034922154295
                   +3 :              -0.00009499944492
             12 vec=    -3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :               0.00026395561684
                   +0 :               0.00032099743935
                   +1 :               0.00016027067459
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00104050933396
                   +0 :              -0.00082535025788
                   +1 :              -0.00044255498316
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00006082673540
                   +0 :               0.00021708850756
                   +1 :               0.00010469724283
                   +2 :               0.00005609351036
                6p
                   -1 :              -0.00001762418599
                   +0 :               0.00010309411044
                   +1 :               0.00000607434830
                4f
                   -3 :              -0.00009499944492
                   -2 :              -0.00003252331779
                   -1 :              -0.00065774511521
                   +0 :               0.00004807731779
                   +1 :               0.00017790762977
                   +2 :              -0.00034922154295
                   +3 :              -0.00021019845660
             13 vec=    -3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :               0.00026395561684
                   +0 :              -0.00032099743935
                   +1 :              -0.00016027067459
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00104050933396
                   +0 :               0.00082535025788
                   +1 :               0.00044255498316
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00006082673540
                   +0 :              -0.00021708850756
                   +1 :              -0.00010469724283
                   +2 :              -0.00005609351036
                6p
                   -1 :              -0.00001762418599
                   +0 :              -0.00010309411044
                   +1 :              -0.00000607434830
                4f
                   -3 :              -0.00009499944492
                   -2 :              -0.00003252331779
                   -1 :              -0.00065774511521
                   +0 :              -0.00004807731779
                   +1 :              -0.00017790762977
                   +2 :               0.00034922154295
                   +3 :               0.00021019845660
             14 vec=     3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :              -0.00026395561684
                   +0 :              -0.00032099743935
                   +1 :               0.00016027067459
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00104050933396
                   +0 :               0.00082535025788
                   +1 :              -0.00044255498316
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00006082673540
                   +0 :              -0.00021708850756
                   +1 :               0.00010469724283
                   +2 :              -0.00005609351036
                6p
                   -1 :               0.00001762418599
                   +0 :              -0.00010309411044
                   +1 :               0.00000607434830
                4f
                   -3 :               0.00009499944492
                   -2 :              -0.00003252331779
                   -1 :               0.00065774511521
                   +0 :              -0.00004807731779
                   +1 :               0.00017790762977
                   +2 :               0.00034922154295
                   +3 :              -0.00021019845660
             15 vec=     3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :              -0.00026395561684
                   +0 :               0.00032099743935
                   +1 :              -0.00016027067459
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :              -0.00104050933396
                   +0 :              -0.00082535025788
                   +1 :               0.00044255498316
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :               0.00006082673540
                   +0 :               0.00021708850756
                   +1 :              -0.00010469724283
                   +2 :               0.00005609351036
                6p
                   -1 :               0.00001762418599
                   +0 :               0.00010309411044
                   +1 :              -0.00000607434830
                4f
                   -3 :               0.00009499944492
                   -2 :              -0.00003252331779
                   -1 :               0.00065774511521
                   +0 :               0.00004807731779
                   +1 :              -0.00017790762977
                   +2 :              -0.00034922154295
                   +3 :               0.00021019845660
             16 vec=    10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00018874631934
                5p
                   -1 :              -0.00016027067459
                   +0 :              -0.00032099743935
                   +1 :               0.00026395561684
                6s
                   +0 :              -0.00047273226260
                7s
                   +0 :               0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00044255498316
                   +0 :               0.00082535025788
                   +1 :               0.00104050933396
                   +2 :               0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00010469724283
                   +0 :              -0.00021708850756
                   +1 :              -0.00006082673540
                   +2 :               0.00005609351036
                6p
                   -1 :              -0.00000607434830
                   +0 :              -0.00010309411044
                   +1 :              -0.00001762418599
                4f
                   -3 :              -0.00021019845660
                   -2 :              -0.00003252331779
                   -1 :              -0.00017790762977
                   +0 :              -0.00004807731779
                   +1 :              -0.00065774511521
                   +2 :              -0.00034922154295
                   +3 :               0.00009499944492
             17 vec=    10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00018874631934
                5p
                   -1 :              -0.00016027067459
                   +0 :               0.00032099743935
                   +1 :              -0.00026395561684
                6s
                   +0 :               0.00047273226260
                7s
                   +0 :              -0.00005390694227
                5d
                   -2 :               0.00016720215155
                   -1 :               0.00044255498316
                   +0 :              -0.00082535025788
                   +1 :              -0.00104050933396
                   +2 :              -0.00008881604013
                6d
                   -2 :               0.00008788898726
                   -1 :              -0.00010469724283
                   +0 :               0.00021708850756
                   +1 :               0.00006082673540
                   +2 :              -0.00005609351036
                6p
                   -1 :              -0.00000607434830
                   +0 :               0.00010309411044
                   +1 :               0.00001762418599
                4f
                   -3 :              -0.00021019845660
                   -2 :              -0.00003252331779
                   -1 :              -0.00017790762977
                   +0 :               0.00004807731779
                   +1 :               0.00065774511521
                   +2 :               0.00034922154295
                   +3 :              -0.00009499944492
             18 vec=    -7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00019961269471
                5p
                   -1 :              -0.00015278868278
                   +0 :              -0.00010315210476
                   +1 :              -0.00015278868278
                6s
                   +0 :               0.00009019954770
                7s
                   +0 :               0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :              -0.00033941166883
                   +0 :               0.00025448132996
                   +1 :              -0.00033941166883
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :               0.00006043477025
                   +0 :              -0.00006119041598
                   +1 :               0.00006043477025
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00005286471274
                   +0 :               0.00001152039460
                   +1 :              -0.00005286471274
                4f
                   -3 :              -0.00006333634641
                   -2 :               0.00002154891890
                   -1 :              -0.00003033726174
                   +0 :               0.00000452819813
                   +1 :              -0.00003033726174
                   +2 :              -0.00000000000000
                   +3 :               0.00006333634641
             19 vec=    -7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00019961269471
                5p
                   -1 :              -0.00015278868278
                   +0 :               0.00010315210476
                   +1 :               0.00015278868278
                6s
                   +0 :              -0.00009019954770
                7s
                   +0 :              -0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :              -0.00033941166883
                   +0 :              -0.00025448132996
                   +1 :               0.00033941166883
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :               0.00006043477025
                   +0 :               0.00006119041598
                   +1 :              -0.00006043477025
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00005286471274
                   +0 :              -0.00001152039460
                   +1 :               0.00005286471274
                4f
                   -3 :              -0.00006333634641
                   -2 :               0.00002154891890
                   -1 :              -0.00003033726174
                   +0 :              -0.00000452819813
                   +1 :               0.00003033726174
                   +2 :               0.00000000000000
                   +3 :              -0.00006333634641
             20 vec=     7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00019961269471
                5p
                   -1 :               0.00015278868278
                   +0 :               0.00010315210476
                   +1 :              -0.00015278868278
                6s
                   +0 :              -0.00009019954770
                7s
                   +0 :              -0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :               0.00033941166883
                   +0 :              -0.00025448132996
                   +1 :              -0.00033941166883
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :              -0.00006043477025
                   +0 :               0.00006119041598
                   +1 :               0.00006043477025
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00005286471274
                   +0 :              -0.00001152039460
                   +1 :              -0.00005286471274
                4f
                   -3 :               0.00006333634641
                   -2 :               0.00002154891890
                   -1 :               0.00003033726174
                   +0 :              -0.00000452819813
                   +1 :              -0.00003033726174
                   +2 :              -0.00000000000000
                   +3 :               0.00006333634641
             21 vec=     7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00019961269471
                5p
                   -1 :               0.00015278868278
                   +0 :              -0.00010315210476
                   +1 :               0.00015278868278
                6s
                   +0 :               0.00009019954770
                7s
                   +0 :               0.00002316166373
                5d
                   -2 :              -0.00032462610598
                   -1 :               0.00033941166883
                   +0 :               0.00025448132996
                   +1 :               0.00033941166883
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005399248871
                   -1 :              -0.00006043477025
                   +0 :              -0.00006119041598
                   +1 :              -0.00006043477025
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00005286471274
                   +0 :               0.00001152039460
                   +1 :               0.00005286471274
                4f
                   -3 :               0.00006333634641
                   -2 :               0.00002154891890
                   -1 :               0.00003033726174
                   +0 :               0.00000452819813
                   +1 :               0.00003033726174
                   +2 :               0.00000000000000
                   +3 :              -0.00006333634641
             22 vec=   -10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00006893359715
                5p
                   -1 :              -0.00002444709183
                   +0 :               0.00009492550564
                   +1 :              -0.00002444709183
                6s
                   +0 :               0.00024790277541
                7s
                   +0 :              -0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :               0.00022678203758
                   +0 :              -0.00008488136408
                   +1 :               0.00022678203758
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :              -0.00004184403296
                   +0 :              -0.00001687512334
                   +1 :              -0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001377933368
                   +0 :               0.00005583011588
                   +1 :              -0.00001377933368
                4f
                   -3 :               0.00000968788810
                   -2 :              -0.00005569981205
                   -1 :              -0.00005572349502
                   +0 :              -0.00004197313705
                   +1 :              -0.00005572349502
                   +2 :               0.00000000000000
                   +3 :              -0.00000968788810
             23 vec=   -10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00006893359715
                5p
                   -1 :              -0.00002444709183
                   +0 :              -0.00009492550564
                   +1 :               0.00002444709183
                6s
                   +0 :              -0.00024790277541
                7s
                   +0 :               0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :               0.00022678203758
                   +0 :               0.00008488136408
                   +1 :              -0.00022678203758
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :              -0.00004184403296
                   +0 :               0.00001687512334
                   +1 :               0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001377933368
                   +0 :              -0.00005583011588
                   +1 :               0.00001377933368
                4f
                   -3 :               0.00000968788810
                   -2 :              -0.00005569981205
                   -1 :              -0.00005572349502
                   +0 :               0.00004197313705
                   +1 :               0.00005572349502
                   +2 :              -0.00000000000000
                   +3 :               0.00000968788810
             24 vec=    10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00006893359715
                5p
                   -1 :               0.00002444709183
                   +0 :              -0.00009492550564
                   +1 :              -0.00002444709183
                6s
                   +0 :              -0.00024790277541
                7s
                   +0 :               0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :              -0.00022678203758
                   +0 :               0.00008488136408
                   +1 :               0.00022678203758
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :               0.00004184403296
                   +0 :               0.00001687512334
                   +1 :              -0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001377933368
                   +0 :              -0.00005583011588
                   +1 :              -0.00001377933368
                4f
                   -3 :              -0.00000968788810
                   -2 :              -0.00005569981205
                   -1 :               0.00005572349502
                   +0 :               0.00004197313705
                   +1 :              -0.00005572349502
                   +2 :              -0.00000000000000
                   +3 :              -0.00000968788810
             25 vec=    10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00006893359715
                5p
                   -1 :               0.00002444709183
                   +0 :               0.00009492550564
                   +1 :               0.00002444709183
                6s
                   +0 :               0.00024790277541
                7s
                   +0 :              -0.00005234428068
                5d
                   -2 :               0.00004580104508
                   -1 :              -0.00022678203758
                   +0 :              -0.00008488136408
                   +1 :              -0.00022678203758
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005759695580
                   -1 :               0.00004184403296
                   +0 :              -0.00001687512334
                   +1 :               0.00004184403296
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001377933368
                   +0 :               0.00005583011588
                   +1 :               0.00001377933368
                4f
                   -3 :              -0.00000968788810
                   -2 :              -0.00005569981205
                   -1 :               0.00005572349502
                   +0 :              -0.00004197313705
                   +1 :               0.00005572349502
                   +2 :               0.00000000000000
                   +3 :               0.00000968788810
             26 vec=     0.000000      0.000000     16.023305   |vec|=   16.023305
                5p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00035331973348
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000535481331
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00031044356446
                   -1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             27 vec=   -14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00002545653551
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :               0.00002175323738
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :              -0.00003047205342
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00002970369794
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00001215217570
                   -2 :               0.00002048004886
                   -1 :              -0.00003422810579
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             28 vec=     0.000000    -14.292755     -9.013109   |vec|=   16.897307
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002545653551
                5d
                   -2 :               0.00003647735784
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002175323738
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003047205342
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002970369794
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00002048004886
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003422810579
                   +2 :              -0.00000000000000
                   +3 :              -0.00001215217570
             29 vec=     0.000000     14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002545653551
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002175323738
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003047205342
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002970369794
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00002048004886
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003422810579
                   +2 :               0.00000000000000
                   +3 :               0.00001215217570
             30 vec=    14.292755      0.000000     -9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00002545653551
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00003647735784
                   -1 :              -0.00002175323738
                   +0 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002851318579
                   -1 :               0.00003047205342
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00002970369794
                   +0 :               0.00000000000000
                4f
                   -3 :              -0.00001215217570
                   -2 :               0.00002048004886
                   -1 :               0.00003422810579
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             31 vec=    -7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00004046180424
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :              -0.00004306591498
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :               0.00002041595074
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000506441257
                   +0 :               0.00000000000000
                4f
                   -3 :              -0.00009117772632
                   -2 :               0.00013983988216
                   -1 :              -0.00002940141667
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             32 vec=     0.000000     -7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004046180424
                5d
                   -2 :              -0.00017847540712
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00004306591498
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002041595074
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000506441257
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00013983988216
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002940141667
                   +2 :               0.00000000000000
                   +3 :               0.00009117772632
             33 vec=     0.000000      7.146377     16.023305   |vec|=   17.544715
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004046180424
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004306591498
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002041595074
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000506441257
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00013983988216
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002940141667
                   +2 :              -0.00000000000000
                   +3 :              -0.00009117772632
             34 vec=     7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00004046180424
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00017847540712
                   -1 :               0.00004306591498
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000494123303
                   -1 :              -0.00002041595074
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000506441257
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00009117772632
                   -2 :               0.00013983988216
                   -1 :               0.00002940141667
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site Cu(  3)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3p
                   +0 :               0.00000000000000
                3d
                   -2 :               1.00292016569285
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.01227932159738
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   +0 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                3p
                   -1 :               0.00010715505436
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00327090480560
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00144350159867
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00542803483022
                   +1 :              -0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00010715505436
                3d
                   -2 :              -0.00327090480560
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00144350159867
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :               0.00542803483022
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00010715505436
                3d
                   -2 :              -0.00327090480560
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00144350159867
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.00542803483022
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                3p
                   -1 :              -0.00010715505436
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00327090480560
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00144350159867
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00542803483022
                   +1 :               0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00024063524165
                3p
                   -1 :              -0.00011421885368
                   +0 :              -0.00000000000000
                   +1 :              -0.00011421885368
                4s
                   +0 :               0.00114506057816
                5s
                   +0 :               0.00034552342520
                3d
                   -2 :              -0.00085023948987
                   -1 :              -0.00000000000000
                   +0 :              -0.00021001297219
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00047403013913
                   -1 :              -0.00000000000000
                   +0 :              -0.00011228090218
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00060010703609
                   +0 :               0.00000000000000
                   +1 :               0.00060010703609
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00024063524165
                3p
                   -1 :              -0.00011421885368
                   +0 :              -0.00000000000000
                   +1 :               0.00011421885368
                4s
                   +0 :              -0.00114506057816
                5s
                   +0 :              -0.00034552342520
                3d
                   -2 :              -0.00085023948987
                   +0 :               0.00021001297219
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00047403013913
                   -1 :               0.00000000000000
                   +0 :               0.00011228090218
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00060010703609
                   +0 :              -0.00000000000000
                   +1 :              -0.00060010703609
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00024063524165
                3p
                   -1 :               0.00011421885368
                   +0 :              -0.00000000000000
                   +1 :              -0.00011421885368
                4s
                   +0 :              -0.00114506057816
                5s
                   +0 :              -0.00034552342520
                3d
                   -2 :              -0.00085023948987
                   +0 :               0.00021001297219
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00047403013913
                   -1 :               0.00000000000000
                   +0 :               0.00011228090218
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00060010703609
                   +0 :               0.00000000000000
                   +1 :               0.00060010703609
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00024063524165
                3p
                   -1 :               0.00011421885368
                   +0 :              -0.00000000000000
                   +1 :               0.00011421885368
                4s
                   +0 :               0.00114506057816
                5s
                   +0 :               0.00034552342520
                3d
                   -2 :              -0.00085023948987
                   -1 :              -0.00000000000000
                   +0 :              -0.00021001297219
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00047403013913
                   -1 :              -0.00000000000000
                   +0 :              -0.00011228090218
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00060010703609
                   +1 :              -0.00060010703609
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00029243945901
                3p
                   -1 :               0.00000010977878
                   +0 :              -0.00013960227246
                   +1 :               0.00000010977878
                4s
                   +0 :              -0.00067508335555
                5s
                   +0 :               0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :               0.00006705644200
                   +0 :               0.00027262438936
                   +1 :               0.00006705644200
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :               0.00002061520106
                   +0 :               0.00005706677046
                   +1 :               0.00002061520106
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00004432970691
                   +0 :              -0.00046552103519
                   +1 :               0.00004432970691
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00029243945901
                3p
                   -1 :               0.00000010977878
                   +0 :               0.00013960227246
                   +1 :               0.00000010977878
                4s
                   +0 :              -0.00067508335555
                5s
                   +0 :               0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :              -0.00006705644200
                   +0 :               0.00027262438936
                   +1 :              -0.00006705644200
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :              -0.00002061520106
                   +0 :               0.00005706677046
                   +1 :              -0.00002061520106
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00004432970691
                   +0 :               0.00046552103519
                   +1 :               0.00004432970691
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00029243945901
                3p
                   -1 :               0.00000010977878
                   +0 :               0.00013960227246
                   +1 :              -0.00000010977878
                4s
                   +0 :               0.00067508335555
                5s
                   +0 :              -0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :               0.00006705644200
                   +0 :              -0.00027262438936
                   +1 :              -0.00006705644200
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :               0.00002061520106
                   +0 :              -0.00005706677046
                   +1 :              -0.00002061520106
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00004432970691
                   +0 :               0.00046552103519
                   +1 :              -0.00004432970691
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00029243945901
                3p
                   -1 :               0.00000010977878
                   +0 :              -0.00013960227246
                   +1 :              -0.00000010977878
                4s
                   +0 :               0.00067508335555
                5s
                   +0 :              -0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :              -0.00006705644200
                   +0 :              -0.00027262438936
                   +1 :               0.00006705644200
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :              -0.00002061520106
                   +0 :              -0.00005706677046
                   +1 :               0.00002061520106
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00004432970691
                   +0 :              -0.00046552103519
                   +1 :              -0.00004432970691
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00029243945901
                3p
                   -1 :              -0.00000010977878
                   +0 :               0.00013960227246
                   +1 :               0.00000010977878
                4s
                   +0 :               0.00067508335555
                5s
                   +0 :              -0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :              -0.00006705644200
                   +0 :              -0.00027262438936
                   +1 :               0.00006705644200
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :              -0.00002061520106
                   +0 :              -0.00005706677046
                   +1 :               0.00002061520106
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00004432970691
                   +0 :               0.00046552103519
                   +1 :               0.00004432970691
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00029243945901
                3p
                   -1 :              -0.00000010977878
                   +0 :              -0.00013960227246
                   +1 :               0.00000010977878
                4s
                   +0 :               0.00067508335555
                5s
                   +0 :              -0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :               0.00006705644200
                   +0 :              -0.00027262438936
                   +1 :              -0.00006705644200
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :               0.00002061520106
                   +0 :              -0.00005706677046
                   +1 :              -0.00002061520106
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00004432970691
                   +0 :              -0.00046552103519
                   +1 :               0.00004432970691
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00029243945901
                3p
                   -1 :              -0.00000010977878
                   +0 :              -0.00013960227246
                   +1 :              -0.00000010977878
                4s
                   +0 :              -0.00067508335555
                5s
                   +0 :               0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :              -0.00006705644200
                   +0 :               0.00027262438936
                   +1 :              -0.00006705644200
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :              -0.00002061520106
                   +0 :               0.00005706677046
                   +1 :              -0.00002061520106
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00004432970691
                   +0 :              -0.00046552103519
                   +1 :              -0.00004432970691
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00029243945901
                3p
                   -1 :              -0.00000010977878
                   +0 :               0.00013960227246
                   +1 :              -0.00000010977878
                4s
                   +0 :              -0.00067508335555
                5s
                   +0 :               0.00030621126632
                3d
                   -2 :               0.00000774596750
                   -1 :               0.00006705644200
                   +0 :               0.00027262438936
                   +1 :               0.00006705644200
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000620180745
                   -1 :               0.00002061520106
                   +0 :               0.00005706677046
                   +1 :               0.00002061520106
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00004432970691
                   +0 :               0.00046552103519
                   +1 :              -0.00004432970691
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                3p
                   -1 :               0.00001716430975
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00016761888457
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000215049119
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00012023813454
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001716430975
                3d
                   -2 :               0.00016761888457
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000215049119
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.00012023813454
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001716430975
                3d
                   -2 :               0.00016761888457
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000215049119
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :               0.00012023813454
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                3p
                   -1 :              -0.00001716430975
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00016761888457
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000215049119
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00012023813454
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00002329210995
                3p
                   -1 :              -0.00000138868090
                   +0 :              -0.00000000000000
                   +1 :               0.00002477847347
                4s
                   +0 :               0.00030707173038
                5s
                   +0 :               0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :              -0.00000000000000
                   +0 :               0.00001067450547
                   +1 :               0.00000000000000
                   +2 :               0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :              -0.00000000000000
                   +0 :              -0.00002138166019
                   +1 :               0.00000000000000
                   +2 :               0.00004577791124
                4p
                   -1 :               0.00012232485656
                   +0 :              -0.00000000000000
                   +1 :              -0.00031220734136
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00002329210995
                3p
                   -1 :              -0.00000138868090
                   +1 :              -0.00002477847347
                4s
                   +0 :              -0.00030707173038
                5s
                   +0 :              -0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :              -0.00000000000000
                   +0 :              -0.00001067450547
                   +1 :              -0.00000000000000
                   +2 :              -0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :              -0.00000000000000
                   +0 :               0.00002138166019
                   +1 :               0.00000000000000
                   +2 :              -0.00004577791124
                4p
                   -1 :               0.00012232485656
                   +0 :               0.00000000000000
                   +1 :               0.00031220734136
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00002329210995
                3p
                   -1 :               0.00002477847347
                   +0 :              -0.00000000000000
                   +1 :              -0.00000138868090
                4s
                   +0 :               0.00030707173038
                5s
                   +0 :               0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :               0.00000000000000
                   +0 :               0.00001067450547
                   +1 :              -0.00000000000000
                   +2 :              -0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :               0.00000000000000
                   +0 :              -0.00002138166019
                   +1 :              -0.00000000000000
                   +2 :              -0.00004577791124
                4p
                   -1 :              -0.00031220734136
                   +1 :               0.00012232485656
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00002329210995
                3p
                   -1 :               0.00002477847347
                   +0 :               0.00000000000000
                   +1 :               0.00000138868090
                4s
                   +0 :              -0.00030707173038
                5s
                   +0 :              -0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :               0.00000000000000
                   +0 :              -0.00001067450547
                   +1 :              -0.00000000000000
                   +2 :               0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :               0.00000000000000
                   +0 :               0.00002138166019
                   +1 :              -0.00000000000000
                   +2 :               0.00004577791124
                4p
                   -1 :              -0.00031220734136
                   +1 :              -0.00012232485656
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00002329210995
                3p
                   -1 :              -0.00002477847347
                   +1 :              -0.00000138868090
                4s
                   +0 :              -0.00030707173038
                5s
                   +0 :              -0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :               0.00000000000000
                   +0 :              -0.00001067450547
                   +1 :              -0.00000000000000
                   +2 :               0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :               0.00000000000000
                   +0 :               0.00002138166019
                   +1 :              -0.00000000000000
                   +2 :               0.00004577791124
                4p
                   -1 :               0.00031220734136
                   +1 :               0.00012232485656
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00002329210995
                3p
                   -1 :              -0.00002477847347
                   +0 :               0.00000000000000
                   +1 :               0.00000138868090
                4s
                   +0 :               0.00030707173038
                5s
                   +0 :               0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :               0.00000000000000
                   +0 :               0.00001067450547
                   +1 :              -0.00000000000000
                   +2 :              -0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :               0.00000000000000
                   +0 :              -0.00002138166019
                   +1 :              -0.00000000000000
                   +2 :              -0.00004577791124
                4p
                   -1 :               0.00031220734136
                   +0 :               0.00000000000000
                   +1 :              -0.00012232485656
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00002329210995
                3p
                   -1 :               0.00000138868090
                   +1 :               0.00002477847347
                4s
                   +0 :              -0.00030707173038
                5s
                   +0 :              -0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :              -0.00000000000000
                   +0 :              -0.00001067450547
                   +1 :              -0.00000000000000
                   +2 :              -0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :              -0.00000000000000
                   +0 :               0.00002138166019
                   +1 :               0.00000000000000
                   +2 :              -0.00004577791124
                4p
                   -1 :              -0.00012232485656
                   +0 :               0.00000000000000
                   +1 :              -0.00031220734136
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00002329210995
                3p
                   -1 :               0.00000138868090
                   +0 :              -0.00000000000000
                   +1 :              -0.00002477847347
                4s
                   +0 :               0.00030707173038
                5s
                   +0 :               0.00008567400543
                3d
                   -2 :              -0.00004896234737
                   -1 :              -0.00000000000000
                   +0 :               0.00001067450547
                   +1 :               0.00000000000000
                   +2 :               0.00009484555055
                4d
                   -2 :              -0.00001534491147
                   -1 :              -0.00000000000000
                   +0 :              -0.00002138166019
                   +1 :               0.00000000000000
                   +2 :               0.00004577791124
                4p
                   -1 :              -0.00012232485656
                   +0 :              -0.00000000000000
                   +1 :               0.00031220734136
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :              -0.00000173043549
                   +0 :              -0.00001495901991
                   +1 :               0.00000614626349
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00001116147667
                   +0 :               0.00004219898705
                   +1 :              -0.00004618142807
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000070002763
                   +0 :               0.00000003283008
                   +1 :              -0.00000960698819
                   +2 :               0.00000418123748
                4p
                   -1 :               0.00002214186028
                   +0 :               0.00008152340127
                   +1 :              -0.00007436084945
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :              -0.00000173043549
                   +0 :               0.00001495901991
                   +1 :               0.00000614626349
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00001116147667
                   +0 :               0.00004219898705
                   +1 :               0.00004618142807
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000070002763
                   +0 :               0.00000003283008
                   +1 :               0.00000960698819
                   +2 :               0.00000418123748
                4p
                   -1 :               0.00002214186028
                   +0 :              -0.00008152340127
                   +1 :              -0.00007436084945
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :              -0.00000173043549
                   +0 :               0.00001495901991
                   +1 :              -0.00000614626349
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00001116147667
                   +0 :              -0.00004219898705
                   +1 :               0.00004618142807
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000070002763
                   +0 :              -0.00000003283008
                   +1 :               0.00000960698819
                   +2 :              -0.00000418123748
                4p
                   -1 :               0.00002214186028
                   +0 :              -0.00008152340127
                   +1 :               0.00007436084945
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :              -0.00000173043549
                   +0 :              -0.00001495901991
                   +1 :              -0.00000614626349
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00001116147667
                   +0 :              -0.00004219898705
                   +1 :              -0.00004618142807
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000070002763
                   +0 :              -0.00000003283008
                   +1 :              -0.00000960698819
                   +2 :              -0.00000418123748
                4p
                   -1 :               0.00002214186028
                   +0 :               0.00008152340127
                   +1 :               0.00007436084945
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :               0.00000614626349
                   +0 :              -0.00001495901991
                   +1 :              -0.00000173043549
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00004618142807
                   +0 :               0.00004219898705
                   +1 :              -0.00001116147667
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000960698819
                   +0 :               0.00000003283008
                   +1 :               0.00000070002763
                   +2 :              -0.00000418123748
                4p
                   -1 :              -0.00007436084945
                   +0 :               0.00008152340127
                   +1 :               0.00002214186028
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :               0.00000614626349
                   +0 :               0.00001495901991
                   +1 :              -0.00000173043549
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00004618142807
                   +0 :               0.00004219898705
                   +1 :               0.00001116147667
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000960698819
                   +0 :               0.00000003283008
                   +1 :              -0.00000070002763
                   +2 :              -0.00000418123748
                4p
                   -1 :              -0.00007436084945
                   +0 :              -0.00008152340127
                   +1 :               0.00002214186028
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :               0.00000614626349
                   +0 :               0.00001495901991
                   +1 :               0.00000173043549
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00004618142807
                   +0 :              -0.00004219898705
                   +1 :               0.00001116147667
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000960698819
                   +0 :              -0.00000003283008
                   +1 :              -0.00000070002763
                   +2 :               0.00000418123748
                4p
                   -1 :              -0.00007436084945
                   +0 :              -0.00008152340127
                   +1 :              -0.00002214186028
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :               0.00000614626349
                   +0 :              -0.00001495901991
                   +1 :               0.00000173043549
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00004618142807
                   +0 :              -0.00004219898705
                   +1 :              -0.00001116147667
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000960698819
                   +0 :              -0.00000003283008
                   +1 :               0.00000070002763
                   +2 :               0.00000418123748
                4p
                   -1 :              -0.00007436084945
                   +0 :               0.00008152340127
                   +1 :              -0.00002214186028
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :              -0.00000614626349
                   +0 :               0.00001495901991
                   +1 :              -0.00000173043549
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00004618142807
                   +0 :              -0.00004219898705
                   +1 :              -0.00001116147667
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000960698819
                   +0 :              -0.00000003283008
                   +1 :               0.00000070002763
                   +2 :               0.00000418123748
                4p
                   -1 :               0.00007436084945
                   +0 :              -0.00008152340127
                   +1 :               0.00002214186028
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :              -0.00000614626349
                   +0 :              -0.00001495901991
                   +1 :              -0.00000173043549
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00004618142807
                   +0 :              -0.00004219898705
                   +1 :               0.00001116147667
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000960698819
                   +0 :              -0.00000003283008
                   +1 :              -0.00000070002763
                   +2 :               0.00000418123748
                4p
                   -1 :               0.00007436084945
                   +0 :               0.00008152340127
                   +1 :               0.00002214186028
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :              -0.00000614626349
                   +0 :              -0.00001495901991
                   +1 :               0.00000173043549
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00004618142807
                   +0 :               0.00004219898705
                   +1 :               0.00001116147667
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000960698819
                   +0 :               0.00000003283008
                   +1 :              -0.00000070002763
                   +2 :              -0.00000418123748
                4p
                   -1 :               0.00007436084945
                   +0 :               0.00008152340127
                   +1 :              -0.00002214186028
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :              -0.00000614626349
                   +0 :               0.00001495901991
                   +1 :               0.00000173043549
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00004618142807
                   +0 :               0.00004219898705
                   +1 :              -0.00001116147667
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000960698819
                   +0 :               0.00000003283008
                   +1 :               0.00000070002763
                   +2 :              -0.00000418123748
                4p
                   -1 :               0.00007436084945
                   +0 :              -0.00008152340127
                   +1 :              -0.00002214186028
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :               0.00000173043549
                   +0 :               0.00001495901991
                   +1 :               0.00000614626349
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00001116147667
                   +0 :              -0.00004219898705
                   +1 :              -0.00004618142807
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000070002763
                   +0 :              -0.00000003283008
                   +1 :              -0.00000960698819
                   +2 :              -0.00000418123748
                4p
                   -1 :              -0.00002214186028
                   +0 :              -0.00008152340127
                   +1 :              -0.00007436084945
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002267568205
                3p
                   -1 :               0.00000173043549
                   +0 :              -0.00001495901991
                   +1 :               0.00000614626349
                4s
                   +0 :              -0.00001283775739
                5s
                   +0 :              -0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00001116147667
                   +0 :              -0.00004219898705
                   +1 :               0.00004618142807
                   +2 :              -0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000070002763
                   +0 :              -0.00000003283008
                   +1 :               0.00000960698819
                   +2 :              -0.00000418123748
                4p
                   -1 :              -0.00002214186028
                   +0 :               0.00008152340127
                   +1 :              -0.00007436084945
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :               0.00000173043549
                   +0 :              -0.00001495901991
                   +1 :              -0.00000614626349
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :               0.00001116147667
                   +0 :               0.00004219898705
                   +1 :               0.00004618142807
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :              -0.00000070002763
                   +0 :               0.00000003283008
                   +1 :               0.00000960698819
                   +2 :               0.00000418123748
                4p
                   -1 :              -0.00002214186028
                   +0 :               0.00008152340127
                   +1 :               0.00007436084945
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002267568205
                3p
                   -1 :               0.00000173043549
                   +0 :               0.00001495901991
                   +1 :              -0.00000614626349
                4s
                   +0 :               0.00001283775739
                5s
                   +0 :               0.00001865371047
                3d
                   -2 :              -0.00001294874584
                   -1 :              -0.00001116147667
                   +0 :               0.00004219898705
                   +1 :              -0.00004618142807
                   +2 :               0.00002294419541
                4d
                   -2 :               0.00000215122976
                   -1 :               0.00000070002763
                   +0 :               0.00000003283008
                   +1 :              -0.00000960698819
                   +2 :               0.00000418123748
                4p
                   -1 :              -0.00002214186028
                   +0 :              -0.00008152340127
                   +1 :               0.00007436084945
WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site O (  4)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.02605647550154
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00829903011735
                3d
                   -2 :              -0.00748734714171
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.02605647550154
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00829903011735
                3d
                   -2 :              -0.00748734714171
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00033137200068
                2s
                   +0 :              -0.00513767728033
                3s
                   +0 :               0.00034361320299
                2p
                   -1 :               0.00380782321018
                   +0 :              -0.00000000000000
                   +1 :               0.00274383936156
                3p
                   -1 :              -0.00046294363406
                   +0 :              -0.00000000000000
                   +1 :               0.00058629859803
                3d
                   -2 :              -0.00039311250989
                   -1 :               0.00000000000000
                   +0 :               0.00043522684249
                   +1 :              -0.00000000000000
                   +2 :              -0.00032748302946
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00033137200068
                2s
                   +0 :               0.00513767728033
                3s
                   +0 :              -0.00034361320299
                2p
                   -1 :               0.00380782321018
                   +0 :               0.00000000000000
                   +1 :              -0.00274383936156
                3p
                   -1 :              -0.00046294363406
                   +1 :              -0.00058629859803
                3d
                   -2 :              -0.00039311250989
                   -1 :               0.00000000000000
                   +0 :              -0.00043522684249
                   +1 :               0.00000000000000
                   +2 :               0.00032748302946
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00033137200068
                2s
                   +0 :               0.00513767728033
                3s
                   +0 :              -0.00034361320299
                2p
                   -1 :              -0.00380782321018
                   +0 :               0.00000000000000
                   +1 :               0.00274383936156
                3p
                   -1 :               0.00046294363406
                   +1 :               0.00058629859803
                3d
                   -2 :              -0.00039311250989
                   -1 :               0.00000000000000
                   +0 :              -0.00043522684249
                   +1 :               0.00000000000000
                   +2 :               0.00032748302946
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00033137200068
                2s
                   +0 :              -0.00513767728033
                3s
                   +0 :               0.00034361320299
                2p
                   -1 :              -0.00380782321018
                   +0 :               0.00000000000000
                   +1 :              -0.00274383936156
                3p
                   -1 :               0.00046294363406
                   +0 :               0.00000000000000
                   +1 :              -0.00058629859803
                3d
                   -2 :              -0.00039311250989
                   -1 :               0.00000000000000
                   +0 :               0.00043522684249
                   +1 :              -0.00000000000000
                   +2 :              -0.00032748302946
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00075733115075
                3p
                   +0 :              -0.00000000000000
                   +1 :               0.00011356752722
                3d
                   -2 :               0.00014197079167
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00075733115075
                3p
                   +1 :              -0.00011356752722
                3d
                   -2 :               0.00014197079167
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008710570663
                2s
                   +0 :              -0.00113289420261
                3s
                   +0 :               0.00023282915397
                2p
                   -1 :               0.00075732050132
                   +0 :              -0.00000000000000
                   +1 :               0.00035617060124
                3p
                   -1 :               0.00009076793769
                   +0 :               0.00000000000000
                   +1 :               0.00003243900175
                3d
                   -2 :              -0.00005502469482
                   -1 :               0.00000000000000
                   +0 :               0.00003512157880
                   +1 :              -0.00000000000000
                   +2 :               0.00000283994102
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00008710570663
                2s
                   +0 :               0.00113289420261
                3s
                   +0 :              -0.00023282915397
                2p
                   -1 :               0.00075732050132
                   +0 :              -0.00000000000000
                   +1 :              -0.00035617060124
                3p
                   -1 :               0.00009076793769
                   +1 :              -0.00003243900175
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :              -0.00003512157880
                   +1 :              -0.00000000000000
                   +2 :              -0.00000283994102
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00008710570663
                2s
                   +0 :               0.00113289420261
                3s
                   +0 :              -0.00023282915397
                2p
                   -1 :              -0.00075732050132
                   +0 :              -0.00000000000000
                   +1 :               0.00035617060124
                3p
                   -1 :              -0.00009076793769
                   +0 :               0.00000000000000
                   +1 :               0.00003243900175
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :              -0.00003512157880
                   +1 :              -0.00000000000000
                   +2 :              -0.00000283994102
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008710570663
                2s
                   +0 :              -0.00113289420261
                3s
                   +0 :               0.00023282915397
                2p
                   -1 :              -0.00075732050132
                   +0 :               0.00000000000000
                   +1 :              -0.00035617060124
                3p
                   -1 :              -0.00009076793769
                   +0 :               0.00000000000000
                   +1 :              -0.00003243900175
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :               0.00003512157880
                   +1 :              -0.00000000000000
                   +2 :               0.00000283994102
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00009844750587
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00023513823154
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000592828310
                   -1 :               0.00004973441917
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00009844750587
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00023513823154
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000592828310
                   -1 :              -0.00004973441917
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00009844750587
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00023513823154
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000592828310
                   -1 :              -0.00004973441917
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00009844750587
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00023513823154
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000592828310
                   -1 :               0.00004973441917
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00001421927523
                2s
                   +0 :               0.00022949526823
                3s
                   +0 :              -0.00001591714831
                2p
                   -1 :              -0.00021562776281
                   +0 :              -0.00000000000000
                   +1 :              -0.00004687421973
                3p
                   -1 :               0.00003959841295
                   +0 :               0.00000000000000
                   +1 :              -0.00011522978496
                3d
                   -2 :               0.00000395441073
                   -1 :               0.00000000000000
                   +0 :              -0.00000954861046
                   +1 :               0.00000000000000
                   +2 :               0.00002047024813
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001421927523
                2s
                   +0 :              -0.00022949526823
                3s
                   +0 :               0.00001591714831
                2p
                   -1 :              -0.00021562776281
                   +1 :               0.00004687421973
                3p
                   -1 :               0.00003959841295
                   +0 :              -0.00000000000000
                   +1 :               0.00011522978496
                3d
                   -2 :               0.00000395441073
                   -1 :              -0.00000000000000
                   +0 :               0.00000954861046
                   +1 :              -0.00000000000000
                   +2 :              -0.00002047024813
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001421927523
                2s
                   +0 :              -0.00022949526823
                3s
                   +0 :               0.00001591714831
                2p
                   -1 :               0.00021562776281
                   +1 :              -0.00004687421973
                3p
                   -1 :              -0.00003959841295
                   +0 :               0.00000000000000
                   +1 :              -0.00011522978496
                3d
                   -2 :               0.00000395441073
                   -1 :              -0.00000000000000
                   +0 :               0.00000954861046
                   +1 :              -0.00000000000000
                   +2 :              -0.00002047024813
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00001421927523
                2s
                   +0 :               0.00022949526823
                3s
                   +0 :              -0.00001591714831
                2p
                   -1 :               0.00021562776281
                   +0 :               0.00000000000000
                   +1 :               0.00004687421973
                3p
                   -1 :              -0.00003959841295
                   +0 :               0.00000000000000
                   +1 :               0.00011522978496
                3d
                   -2 :               0.00000395441073
                   -1 :               0.00000000000000
                   +0 :              -0.00000954861046
                   +1 :               0.00000000000000
                   +2 :               0.00002047024813
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :              -0.00000052403293
                   +0 :               0.00010483919196
                   +1 :               0.00003142139078
                3p
                   -1 :               0.00010971831924
                   +0 :               0.00004962624991
                   +1 :               0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00002224047741
                   +0 :              -0.00000470711201
                   +1 :              -0.00000365534652
                   +2 :               0.00000375420560
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :              -0.00000052403293
                   +0 :              -0.00010483919196
                   +1 :               0.00003142139078
                3p
                   -1 :               0.00010971831924
                   +0 :              -0.00004962624991
                   +1 :               0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00002224047741
                   +0 :              -0.00000470711201
                   +1 :               0.00000365534652
                   +2 :               0.00000375420560
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :              -0.00000052403293
                   +0 :              -0.00010483919196
                   +1 :              -0.00003142139078
                3p
                   -1 :               0.00010971831924
                   +0 :              -0.00004962624991
                   +1 :              -0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00002224047741
                   +0 :               0.00000470711201
                   +1 :               0.00000365534652
                   +2 :              -0.00000375420560
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :              -0.00000052403293
                   +0 :               0.00010483919196
                   +1 :              -0.00003142139078
                3p
                   -1 :               0.00010971831924
                   +0 :               0.00004962624991
                   +1 :              -0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00002224047741
                   +0 :               0.00000470711201
                   +1 :              -0.00000365534652
                   +2 :              -0.00000375420560
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :               0.00000052403293
                   +0 :              -0.00010483919196
                   +1 :               0.00003142139078
                3p
                   -1 :              -0.00010971831924
                   +0 :              -0.00004962624991
                   +1 :               0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00002224047741
                   +0 :               0.00000470711201
                   +1 :              -0.00000365534652
                   +2 :              -0.00000375420560
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :               0.00000052403293
                   +0 :               0.00010483919196
                   +1 :               0.00003142139078
                3p
                   -1 :              -0.00010971831924
                   +0 :               0.00004962624991
                   +1 :               0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00002224047741
                   +0 :               0.00000470711201
                   +1 :               0.00000365534652
                   +2 :              -0.00000375420560
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :               0.00000052403293
                   +0 :               0.00010483919196
                   +1 :              -0.00003142139078
                3p
                   -1 :              -0.00010971831924
                   +0 :               0.00004962624991
                   +1 :              -0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00002224047741
                   +0 :              -0.00000470711201
                   +1 :               0.00000365534652
                   +2 :               0.00000375420560
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :               0.00000052403293
                   +0 :              -0.00010483919196
                   +1 :              -0.00003142139078
                3p
                   -1 :              -0.00010971831924
                   +0 :              -0.00004962624991
                   +1 :              -0.00000591796594
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00002224047741
                   +0 :              -0.00000470711201
                   +1 :              -0.00000365534652
                   +2 :               0.00000375420560
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00001284381607
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003974023784
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000486528010
                   -1 :              -0.00000092051433
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00001284381607
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003974023784
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000486528010
                   -1 :               0.00000092051433
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00001284381607
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00003974023784
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000486528010
                   -1 :               0.00000092051433
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00001284381607
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00003974023784
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000486528010
                   -1 :              -0.00000092051433
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00001695734145
                2s
                   +0 :              -0.00022148983235
                3s
                   +0 :               0.00002772902338
                2p
                   -1 :               0.00015517610382
                   +0 :               0.00000000000000
                   +1 :               0.00001258203027
                3p
                   -1 :               0.00000066807612
                   +1 :               0.00001155556312
                3d
                   -2 :              -0.00000692849092
                   -1 :              -0.00000000000000
                   +0 :               0.00000481070121
                   +1 :               0.00000000000000
                   +2 :               0.00000254337104
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00001695734145
                2s
                   +0 :               0.00022148983235
                3s
                   +0 :              -0.00002772902338
                2p
                   -1 :               0.00015517610382
                   +0 :               0.00000000000000
                   +1 :              -0.00001258203027
                3p
                   -1 :               0.00000066807612
                   +0 :               0.00000000000000
                   +1 :              -0.00001155556312
                3d
                   -2 :              -0.00000692849092
                   -1 :               0.00000000000000
                   +0 :              -0.00000481070121
                   +1 :               0.00000000000000
                   +2 :              -0.00000254337104
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004076315557
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001677026922
                3d
                   -2 :              -0.00000347690162
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004076315557
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001677026922
                3d
                   -2 :              -0.00000347690162
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00001695734145
                2s
                   +0 :               0.00022148983235
                3s
                   +0 :              -0.00002772902338
                2p
                   -1 :              -0.00015517610382
                   +0 :               0.00000000000000
                   +1 :               0.00001258203027
                3p
                   -1 :              -0.00000066807612
                   +1 :               0.00001155556312
                3d
                   -2 :              -0.00000692849092
                   -1 :              -0.00000000000000
                   +0 :              -0.00000481070121
                   +1 :               0.00000000000000
                   +2 :              -0.00000254337104
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00001695734145
                2s
                   +0 :              -0.00022148983235
                3s
                   +0 :               0.00002772902338
                2p
                   -1 :              -0.00015517610382
                   +0 :               0.00000000000000
                   +1 :              -0.00001258203027
                3p
                   -1 :              -0.00000066807612
                   +1 :              -0.00001155556312
                3d
                   -2 :              -0.00000692849092
                   -1 :              -0.00000000000000
                   +0 :               0.00000481070121
                   +1 :               0.00000000000000
                   +2 :               0.00000254337104
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :               0.00000454368202
                   +0 :               0.00009426692715
                   +1 :               0.00003662149458
                3p
                   -1 :               0.00000624045378
                   +0 :              -0.00002715867878
                   +1 :              -0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000117254067
                   +0 :               0.00000124146363
                   +1 :              -0.00000089620583
                   +2 :               0.00000192703406
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :               0.00000454368202
                   +0 :              -0.00009426692715
                   +1 :               0.00003662149458
                3p
                   -1 :               0.00000624045378
                   +0 :               0.00002715867878
                   +1 :              -0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000117254067
                   +0 :               0.00000124146363
                   +1 :               0.00000089620583
                   +2 :               0.00000192703406
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :               0.00000454368202
                   +0 :              -0.00009426692715
                   +1 :              -0.00003662149458
                3p
                   -1 :               0.00000624045378
                   +0 :               0.00002715867878
                   +1 :               0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000117254067
                   +0 :              -0.00000124146363
                   +1 :               0.00000089620583
                   +2 :              -0.00000192703406
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :               0.00000454368202
                   +0 :               0.00009426692715
                   +1 :              -0.00003662149458
                3p
                   -1 :               0.00000624045378
                   +0 :              -0.00002715867878
                   +1 :               0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000117254067
                   +0 :              -0.00000124146363
                   +1 :              -0.00000089620583
                   +2 :              -0.00000192703406
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :              -0.00000454368202
                   +0 :              -0.00009426692715
                   +1 :               0.00003662149458
                3p
                   -1 :              -0.00000624045378
                   +0 :               0.00002715867878
                   +1 :              -0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000117254067
                   +0 :              -0.00000124146363
                   +1 :              -0.00000089620583
                   +2 :              -0.00000192703406
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :              -0.00000454368202
                   +0 :               0.00009426692715
                   +1 :               0.00003662149458
                3p
                   -1 :              -0.00000624045378
                   +0 :              -0.00002715867878
                   +1 :              -0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000117254067
                   +0 :              -0.00000124146363
                   +1 :               0.00000089620583
                   +2 :              -0.00000192703406
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :              -0.00000454368202
                   +0 :               0.00009426692715
                   +1 :              -0.00003662149458
                3p
                   -1 :              -0.00000624045378
                   +0 :              -0.00002715867878
                   +1 :               0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000117254067
                   +0 :               0.00000124146363
                   +1 :               0.00000089620583
                   +2 :               0.00000192703406
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :              -0.00000454368202
                   +0 :              -0.00009426692715
                   +1 :              -0.00003662149458
                3p
                   -1 :              -0.00000624045378
                   +0 :               0.00002715867878
                   +1 :               0.00001377112974
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000117254067
                   +0 :               0.00000124146363
                   +1 :              -0.00000089620583
                   +2 :               0.00000192703406
WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site O (  5)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                2p
                   -1 :               0.02605647550154
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00829903011735
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00748734714171
                   -1 :              -0.00000000000000
                   +2 :               0.00000000000000
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                2p
                   -1 :              -0.02605647550154
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00829903011735
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00748734714171
                   -1 :              -0.00000000000000
                   +2 :               0.00000000000000
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00033137200068
                2s
                   +0 :              -0.00513767728033
                3s
                   +0 :               0.00034361320299
                2p
                   -1 :               0.00274383936156
                   +0 :              -0.00000000000000
                   +1 :               0.00380782321018
                3p
                   -1 :               0.00058629859803
                   +0 :              -0.00000000000000
                   +1 :              -0.00046294363406
                3d
                   -2 :              -0.00039311250989
                   -1 :              -0.00000000000000
                   +0 :               0.00043522684249
                   +2 :               0.00032748302946
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00033137200068
                2s
                   +0 :               0.00513767728033
                3s
                   +0 :              -0.00034361320299
                2p
                   -1 :               0.00274383936156
                   +0 :              -0.00000000000000
                   +1 :              -0.00380782321018
                3p
                   -1 :               0.00058629859803
                   +1 :               0.00046294363406
                3d
                   -2 :              -0.00039311250989
                   -1 :               0.00000000000000
                   +0 :              -0.00043522684249
                   +1 :              -0.00000000000000
                   +2 :              -0.00032748302946
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00033137200068
                2s
                   +0 :               0.00513767728033
                3s
                   +0 :              -0.00034361320299
                2p
                   -1 :              -0.00274383936156
                   +0 :               0.00000000000000
                   +1 :               0.00380782321018
                3p
                   -1 :              -0.00058629859803
                   +1 :              -0.00046294363406
                3d
                   -2 :              -0.00039311250989
                   -1 :               0.00000000000000
                   +0 :              -0.00043522684249
                   +1 :              -0.00000000000000
                   +2 :              -0.00032748302946
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00033137200068
                2s
                   +0 :              -0.00513767728033
                3s
                   +0 :               0.00034361320299
                2p
                   -1 :              -0.00274383936156
                   +1 :              -0.00380782321018
                3p
                   -1 :              -0.00058629859803
                   +0 :               0.00000000000000
                   +1 :               0.00046294363406
                3d
                   -2 :              -0.00039311250989
                   -1 :              -0.00000000000000
                   +0 :               0.00043522684249
                   +1 :              -0.00000000000000
                   +2 :               0.00032748302946
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                2p
                   -1 :              -0.00075733115075
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011356752722
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00014197079167
                   -1 :               0.00000000000000
                   +2 :               0.00000000000000
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                2p
                   -1 :               0.00075733115075
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00011356752722
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00014197079167
                   -1 :               0.00000000000000
                   +2 :               0.00000000000000
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008710570663
                2s
                   +0 :              -0.00113289420261
                3s
                   +0 :               0.00023282915397
                2p
                   -1 :               0.00035617060124
                   +0 :              -0.00000000000000
                   +1 :               0.00075732050132
                3p
                   -1 :               0.00003243900175
                   +1 :               0.00009076793769
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :               0.00003512157880
                   +1 :               0.00000000000000
                   +2 :              -0.00000283994102
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00008710570663
                2s
                   +0 :               0.00113289420261
                3s
                   +0 :              -0.00023282915397
                2p
                   -1 :               0.00035617060124
                   +0 :               0.00000000000000
                   +1 :              -0.00075732050132
                3p
                   -1 :               0.00003243900175
                   +0 :              -0.00000000000000
                   +1 :              -0.00009076793769
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :              -0.00003512157880
                   +1 :              -0.00000000000000
                   +2 :               0.00000283994102
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00008710570663
                2s
                   +0 :               0.00113289420261
                3s
                   +0 :              -0.00023282915397
                2p
                   -1 :              -0.00035617060124
                   +0 :               0.00000000000000
                   +1 :               0.00075732050132
                3p
                   -1 :              -0.00003243900175
                   +0 :              -0.00000000000000
                   +1 :               0.00009076793769
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :              -0.00003512157880
                   +1 :              -0.00000000000000
                   +2 :               0.00000283994102
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008710570663
                2s
                   +0 :              -0.00113289420261
                3s
                   +0 :               0.00023282915397
                2p
                   -1 :              -0.00035617060124
                   +0 :               0.00000000000000
                   +1 :              -0.00075732050132
                3p
                   -1 :              -0.00003243900175
                   +1 :              -0.00009076793769
                3d
                   -2 :              -0.00005502469482
                   -1 :              -0.00000000000000
                   +0 :               0.00003512157880
                   +1 :               0.00000000000000
                   +2 :              -0.00000283994102
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00009844750587
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00023513823154
                3d
                   -2 :              -0.00000592828310
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004973441917
                   +2 :              -0.00000000000000
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :              -0.00000000000000
                   +1 :              -0.00009844750587
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00023513823154
                3d
                   -2 :              -0.00000592828310
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00004973441917
                   +2 :               0.00000000000000
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :               0.00009844750587
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00023513823154
                3d
                   -2 :              -0.00000592828310
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004973441917
                   +2 :               0.00000000000000
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00009844750587
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00023513823154
                3d
                   -2 :              -0.00000592828310
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004973441917
                   +2 :              -0.00000000000000
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00001421927523
                2s
                   +0 :               0.00022949526823
                3s
                   +0 :              -0.00001591714831
                2p
                   -1 :              -0.00004687421973
                   +0 :              -0.00000000000000
                   +1 :              -0.00021562776281
                3p
                   -1 :              -0.00011522978496
                   +1 :               0.00003959841295
                3d
                   -2 :               0.00000395441073
                   -1 :               0.00000000000000
                   +0 :              -0.00000954861046
                   +1 :              -0.00000000000000
                   +2 :              -0.00002047024813
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001421927523
                2s
                   +0 :              -0.00022949526823
                3s
                   +0 :               0.00001591714831
                2p
                   -1 :              -0.00004687421973
                   +1 :               0.00021562776281
                3p
                   -1 :              -0.00011522978496
                   +0 :               0.00000000000000
                   +1 :              -0.00003959841295
                3d
                   -2 :               0.00000395441073
                   -1 :              -0.00000000000000
                   +0 :               0.00000954861046
                   +1 :              -0.00000000000000
                   +2 :               0.00002047024813
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001421927523
                2s
                   +0 :              -0.00022949526823
                3s
                   +0 :               0.00001591714831
                2p
                   -1 :               0.00004687421973
                   +1 :              -0.00021562776281
                3p
                   -1 :               0.00011522978496
                   +1 :               0.00003959841295
                3d
                   -2 :               0.00000395441073
                   -1 :              -0.00000000000000
                   +0 :               0.00000954861046
                   +1 :              -0.00000000000000
                   +2 :               0.00002047024813
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00001421927523
                2s
                   +0 :               0.00022949526823
                3s
                   +0 :              -0.00001591714831
                2p
                   -1 :               0.00004687421973
                   +0 :              -0.00000000000000
                   +1 :               0.00021562776281
                3p
                   -1 :               0.00011522978496
                   +0 :              -0.00000000000000
                   +1 :              -0.00003959841295
                3d
                   -2 :               0.00000395441073
                   -1 :               0.00000000000000
                   +0 :              -0.00000954861046
                   +1 :               0.00000000000000
                   +2 :              -0.00002047024813
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :               0.00003142139078
                   +0 :               0.00010483919196
                   +1 :              -0.00000052403293
                3p
                   -1 :               0.00000591796594
                   +0 :               0.00004962624991
                   +1 :               0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00000365534652
                   +0 :              -0.00000470711201
                   +1 :              -0.00002224047741
                   +2 :              -0.00000375420560
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :               0.00003142139078
                   +0 :              -0.00010483919196
                   +1 :              -0.00000052403293
                3p
                   -1 :               0.00000591796594
                   +0 :              -0.00004962624991
                   +1 :               0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00000365534652
                   +0 :              -0.00000470711201
                   +1 :               0.00002224047741
                   +2 :              -0.00000375420560
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :               0.00003142139078
                   +0 :              -0.00010483919196
                   +1 :               0.00000052403293
                3p
                   -1 :               0.00000591796594
                   +0 :              -0.00004962624991
                   +1 :              -0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00000365534652
                   +0 :               0.00000470711201
                   +1 :               0.00002224047741
                   +2 :               0.00000375420560
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :               0.00003142139078
                   +0 :               0.00010483919196
                   +1 :               0.00000052403293
                3p
                   -1 :               0.00000591796594
                   +0 :               0.00004962624991
                   +1 :              -0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00000365534652
                   +0 :               0.00000470711201
                   +1 :              -0.00002224047741
                   +2 :               0.00000375420560
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :              -0.00003142139078
                   +0 :              -0.00010483919196
                   +1 :              -0.00000052403293
                3p
                   -1 :              -0.00000591796594
                   +0 :              -0.00004962624991
                   +1 :               0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00000365534652
                   +0 :               0.00000470711201
                   +1 :              -0.00002224047741
                   +2 :               0.00000375420560
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002432343144
                2s
                   +0 :              -0.00005808099695
                3s
                   +0 :               0.00015570369486
                2p
                   -1 :              -0.00003142139078
                   +0 :               0.00010483919196
                   +1 :              -0.00000052403293
                3p
                   -1 :              -0.00000591796594
                   +0 :               0.00004962624991
                   +1 :               0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00000365534652
                   +0 :               0.00000470711201
                   +1 :               0.00002224047741
                   +2 :               0.00000375420560
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :              -0.00003142139078
                   +0 :               0.00010483919196
                   +1 :               0.00000052403293
                3p
                   -1 :              -0.00000591796594
                   +0 :               0.00004962624991
                   +1 :              -0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :               0.00000365534652
                   +0 :              -0.00000470711201
                   +1 :               0.00002224047741
                   +2 :              -0.00000375420560
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002432343144
                2s
                   +0 :               0.00005808099695
                3s
                   +0 :              -0.00015570369486
                2p
                   -1 :              -0.00003142139078
                   +0 :              -0.00010483919196
                   +1 :               0.00000052403293
                3p
                   -1 :              -0.00000591796594
                   +0 :              -0.00004962624991
                   +1 :              -0.00010971831924
                3d
                   -2 :               0.00000090061648
                   -1 :              -0.00000365534652
                   +0 :              -0.00000470711201
                   +1 :              -0.00002224047741
                   +2 :              -0.00000375420560
             29 vec=    -0.000000    -10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   +0 :              -0.00000000000000
                   +1 :              -0.00001284381607
                3p
                   +0 :               0.00000000000000
                   +1 :              -0.00003974023784
                3d
                   -2 :               0.00000486528010
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000092051433
                   +2 :              -0.00000000000000
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001284381607
                3p
                   +0 :              -0.00000000000000
                   +1 :              -0.00003974023784
                3d
                   -2 :               0.00000486528010
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000092051433
                   +2 :               0.00000000000000
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001284381607
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003974023784
                3d
                   -2 :               0.00000486528010
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000092051433
                   +2 :               0.00000000000000
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001284381607
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00003974023784
                3d
                   -2 :               0.00000486528010
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000092051433
                   +2 :              -0.00000000000000
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                2p
                   -1 :               0.00004076315557
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00001677026922
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000347690162
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00001695734145
                2s
                   +0 :              -0.00022148983235
                3s
                   +0 :               0.00002772902338
                2p
                   -1 :               0.00001258203027
                   +1 :               0.00015517610382
                3p
                   -1 :               0.00001155556312
                   +0 :               0.00000000000000
                   +1 :               0.00000066807612
                3d
                   -2 :              -0.00000692849092
                   -1 :              -0.00000000000000
                   +0 :               0.00000481070121
                   +2 :              -0.00000254337104
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00001695734145
                2s
                   +0 :               0.00022148983235
                3s
                   +0 :              -0.00002772902338
                2p
                   -1 :               0.00001258203027
                   +0 :               0.00000000000000
                   +1 :              -0.00015517610382
                3p
                   -1 :               0.00001155556312
                   +1 :              -0.00000066807612
                3d
                   -2 :              -0.00000692849092
                   -1 :               0.00000000000000
                   +0 :              -0.00000481070121
                   +1 :               0.00000000000000
                   +2 :               0.00000254337104
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00001695734145
                2s
                   +0 :               0.00022148983235
                3s
                   +0 :              -0.00002772902338
                2p
                   -1 :              -0.00001258203027
                   +0 :              -0.00000000000000
                   +1 :               0.00015517610382
                3p
                   -1 :              -0.00001155556312
                   +0 :              -0.00000000000000
                   +1 :               0.00000066807612
                3d
                   -2 :              -0.00000692849092
                   -1 :               0.00000000000000
                   +0 :              -0.00000481070121
                   +2 :               0.00000254337104
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00001695734145
                2s
                   +0 :              -0.00022148983235
                3s
                   +0 :               0.00002772902338
                2p
                   -1 :              -0.00001258203027
                   +0 :               0.00000000000000
                   +1 :              -0.00015517610382
                3p
                   -1 :              -0.00001155556312
                   +0 :               0.00000000000000
                   +1 :              -0.00000066807612
                3d
                   -2 :              -0.00000692849092
                   -1 :              -0.00000000000000
                   +0 :               0.00000481070121
                   +1 :              -0.00000000000000
                   +2 :              -0.00000254337104
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                2p
                   -1 :              -0.00004076315557
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00001677026922
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000347690162
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :               0.00003662149458
                   +0 :               0.00009426692715
                   +1 :               0.00000454368202
                3p
                   -1 :              -0.00001377112974
                   +0 :              -0.00002715867878
                   +1 :               0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000089620583
                   +0 :               0.00000124146363
                   +1 :               0.00000117254067
                   +2 :              -0.00000192703406
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :               0.00003662149458
                   +0 :              -0.00009426692715
                   +1 :               0.00000454368202
                3p
                   -1 :              -0.00001377112974
                   +0 :               0.00002715867878
                   +1 :               0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000089620583
                   +0 :               0.00000124146363
                   +1 :              -0.00000117254067
                   +2 :              -0.00000192703406
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :               0.00003662149458
                   +0 :              -0.00009426692715
                   +1 :              -0.00000454368202
                3p
                   -1 :              -0.00001377112974
                   +0 :               0.00002715867878
                   +1 :              -0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000089620583
                   +0 :              -0.00000124146363
                   +1 :              -0.00000117254067
                   +2 :               0.00000192703406
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :               0.00003662149458
                   +0 :               0.00009426692715
                   +1 :              -0.00000454368202
                3p
                   -1 :              -0.00001377112974
                   +0 :              -0.00002715867878
                   +1 :              -0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000089620583
                   +0 :              -0.00000124146363
                   +1 :               0.00000117254067
                   +2 :               0.00000192703406
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :              -0.00003662149458
                   +0 :              -0.00009426692715
                   +1 :               0.00000454368202
                3p
                   -1 :               0.00001377112974
                   +0 :               0.00002715867878
                   +1 :               0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000089620583
                   +0 :              -0.00000124146363
                   +1 :               0.00000117254067
                   +2 :               0.00000192703406
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000200765250
                2s
                   +0 :               0.00006394503555
                3s
                   +0 :               0.00000503770592
                2p
                   -1 :              -0.00003662149458
                   +0 :               0.00009426692715
                   +1 :               0.00000454368202
                3p
                   -1 :               0.00001377112974
                   +0 :              -0.00002715867878
                   +1 :               0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000089620583
                   +0 :              -0.00000124146363
                   +1 :              -0.00000117254067
                   +2 :               0.00000192703406
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :              -0.00003662149458
                   +0 :               0.00009426692715
                   +1 :              -0.00000454368202
                3p
                   -1 :               0.00001377112974
                   +0 :              -0.00002715867878
                   +1 :              -0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :               0.00000089620583
                   +0 :               0.00000124146363
                   +1 :              -0.00000117254067
                   +2 :              -0.00000192703406
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000200765250
                2s
                   +0 :              -0.00006394503555
                3s
                   +0 :              -0.00000503770592
                2p
                   -1 :              -0.00003662149458
                   +0 :              -0.00009426692715
                   +1 :              -0.00000454368202
                3p
                   -1 :               0.00001377112974
                   +0 :               0.00002715867878
                   +1 :              -0.00000624045378
                3d
                   -2 :              -0.00000169472045
                   -1 :              -0.00000089620583
                   +0 :               0.00000124146363
                   +1 :               0.00000117254067
                   +2 :              -0.00000192703406
WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site O (  6)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00032440739861
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00158977345679
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00086323680382
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00007548204247
                   -1 :              -0.00000835567196
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00158977345679
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00086323680382
                3d
                   -2 :              -0.00007548204247
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000835567196
                   +2 :               0.00000000000000
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00158977345679
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00086323680382
                3d
                   -2 :              -0.00007548204247
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000835567196
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00158977345679
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00086323680382
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00007548204247
                   -1 :               0.00000835567196
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00021597834284
                2s
                   +0 :              -0.00079220884966
                3s
                   +0 :               0.00073708553501
                2p
                   -1 :               0.00019761341323
                   +0 :               0.00295562251398
                   +1 :               0.00019761341323
                3p
                   -1 :              -0.00017819186573
                   +0 :              -0.00145437483863
                   +1 :              -0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :               0.00001590895372
                   +0 :               0.00006030733205
                   +1 :               0.00001590895372
                   +2 :               0.00000000000000
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00021597834284
                2s
                   +0 :               0.00079220884966
                3s
                   +0 :              -0.00073708553501
                2p
                   -1 :               0.00019761341323
                   +0 :              -0.00295562251398
                   +1 :              -0.00019761341323
                3p
                   -1 :              -0.00017819186573
                   +0 :               0.00145437483863
                   +1 :               0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :               0.00001590895372
                   +0 :              -0.00006030733205
                   +1 :              -0.00001590895372
                   +2 :              -0.00000000000000
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00021597834284
                2s
                   +0 :               0.00079220884966
                3s
                   +0 :              -0.00073708553501
                2p
                   -1 :              -0.00019761341323
                   +0 :              -0.00295562251398
                   +1 :               0.00019761341323
                3p
                   -1 :               0.00017819186573
                   +0 :               0.00145437483863
                   +1 :              -0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :              -0.00001590895372
                   +0 :              -0.00006030733205
                   +1 :               0.00001590895372
                   +2 :               0.00000000000000
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00021597834284
                2s
                   +0 :              -0.00079220884966
                3s
                   +0 :               0.00073708553501
                2p
                   -1 :              -0.00019761341323
                   +0 :               0.00295562251398
                   +1 :              -0.00019761341323
                3p
                   -1 :               0.00017819186573
                   +0 :              -0.00145437483863
                   +1 :               0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :              -0.00001590895372
                   +0 :               0.00006030733205
                   +1 :              -0.00001590895372
                   +2 :              -0.00000000000000
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005502093902
                2s
                   +0 :               0.00225849414710
                3s
                   +0 :              -0.00042843734188
                2p
                   -1 :              -0.00116142459147
                   +0 :               0.00045164595630
                   +1 :              -0.00116142459147
                3p
                   -1 :               0.00039645842922
                   +0 :               0.00001825157989
                   +1 :               0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :              -0.00004471278746
                   +0 :              -0.00000870127124
                   +1 :              -0.00004471278746
                   +2 :              -0.00000000000000
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00005502093902
                2s
                   +0 :              -0.00225849414710
                3s
                   +0 :               0.00042843734188
                2p
                   -1 :              -0.00116142459147
                   +0 :              -0.00045164595630
                   +1 :               0.00116142459147
                3p
                   -1 :               0.00039645842922
                   +0 :              -0.00001825157989
                   +1 :              -0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :              -0.00004471278746
                   +0 :               0.00000870127124
                   +1 :               0.00004471278746
                   +2 :               0.00000000000000
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00005502093902
                2s
                   +0 :              -0.00225849414710
                3s
                   +0 :               0.00042843734188
                2p
                   -1 :               0.00116142459147
                   +0 :              -0.00045164595630
                   +1 :              -0.00116142459147
                3p
                   -1 :              -0.00039645842922
                   +0 :              -0.00001825157989
                   +1 :               0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :               0.00004471278746
                   +0 :               0.00000870127124
                   +1 :              -0.00004471278746
                   +2 :               0.00000000000000
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005502093902
                2s
                   +0 :               0.00225849414710
                3s
                   +0 :              -0.00042843734188
                2p
                   -1 :               0.00116142459147
                   +0 :               0.00045164595630
                   +1 :               0.00116142459147
                3p
                   -1 :              -0.00039645842922
                   +0 :               0.00001825157989
                   +1 :              -0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :               0.00004471278746
                   +0 :              -0.00000870127124
                   +1 :               0.00004471278746
                   +2 :              -0.00000000000000
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :               0.00001986787278
                   +0 :               0.00048412791889
                   +1 :              -0.00025402306650
                3p
                   -1 :              -0.00003250763178
                   +0 :              -0.00025401312022
                   +1 :               0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000588294312
                   +0 :               0.00001751247003
                   +1 :               0.00000156327102
                   +2 :              -0.00000466047301
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :               0.00001986787278
                   +0 :              -0.00048412791889
                   +1 :               0.00025402306650
                3p
                   -1 :              -0.00003250763178
                   +0 :               0.00025401312022
                   +1 :              -0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000588294312
                   +0 :              -0.00001751247003
                   +1 :              -0.00000156327102
                   +2 :               0.00000466047301
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :              -0.00025402306650
                   +0 :               0.00048412791889
                   +1 :               0.00001986787278
                3p
                   -1 :               0.00010355172793
                   +0 :              -0.00025401312022
                   +1 :              -0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000156327102
                   +0 :               0.00001751247003
                   +1 :               0.00000588294312
                   +2 :               0.00000466047301
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :              -0.00025402306650
                   +0 :              -0.00048412791889
                   +1 :              -0.00001986787278
                3p
                   -1 :               0.00010355172793
                   +0 :               0.00025401312022
                   +1 :               0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000156327102
                   +0 :              -0.00001751247003
                   +1 :              -0.00000588294312
                   +2 :              -0.00000466047301
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :               0.00025402306650
                   +0 :              -0.00048412791889
                   +1 :               0.00001986787278
                3p
                   -1 :              -0.00010355172793
                   +0 :               0.00025401312022
                   +1 :              -0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000156327102
                   +0 :              -0.00001751247003
                   +1 :               0.00000588294312
                   +2 :              -0.00000466047301
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :               0.00025402306650
                   +0 :               0.00048412791889
                   +1 :              -0.00001986787278
                3p
                   -1 :              -0.00010355172793
                   +0 :              -0.00025401312022
                   +1 :               0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000156327102
                   +0 :               0.00001751247003
                   +1 :              -0.00000588294312
                   +2 :               0.00000466047301
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :              -0.00001986787278
                   +0 :              -0.00048412791889
                   +1 :              -0.00025402306650
                3p
                   -1 :               0.00003250763178
                   +0 :               0.00025401312022
                   +1 :               0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000588294312
                   +0 :              -0.00001751247003
                   +1 :               0.00000156327102
                   +2 :               0.00000466047301
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :              -0.00001986787278
                   +0 :               0.00048412791889
                   +1 :               0.00025402306650
                3p
                   -1 :               0.00003250763178
                   +0 :              -0.00025401312022
                   +1 :              -0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000588294312
                   +0 :               0.00001751247003
                   +1 :              -0.00000156327102
                   +2 :              -0.00000466047301
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00015845940961
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00001228762804
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000991294244
                   -1 :              -0.00000475943384
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00015845940961
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001228762804
                3d
                   -2 :               0.00000991294244
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000475943384
                   +2 :               0.00000000000000
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00015845940961
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00001228762804
                3d
                   -2 :               0.00000991294244
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000475943384
                   +2 :               0.00000000000000
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00015845940961
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00001228762804
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000991294244
                   -1 :               0.00000475943384
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :              -0.00000153533309
                   +0 :               0.00001666133492
                   +1 :              -0.00002831436404
                3p
                   -1 :               0.00000631089742
                   +0 :              -0.00002935672850
                   +1 :              -0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000159011543
                   +0 :              -0.00000426928269
                   +1 :              -0.00000109624384
                   +2 :               0.00000955638301
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :              -0.00000153533309
                   +0 :              -0.00001666133492
                   +1 :               0.00002831436404
                3p
                   -1 :               0.00000631089742
                   +0 :               0.00002935672850
                   +1 :               0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000159011543
                   +0 :               0.00000426928269
                   +1 :               0.00000109624384
                   +2 :              -0.00000955638301
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :              -0.00002831436404
                   +0 :               0.00001666133492
                   +1 :              -0.00000153533309
                3p
                   -1 :              -0.00003283970256
                   +0 :              -0.00002935672850
                   +1 :               0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000109624384
                   +0 :              -0.00000426928269
                   +1 :              -0.00000159011543
                   +2 :              -0.00000955638301
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :              -0.00002831436404
                   +0 :              -0.00001666133492
                   +1 :               0.00000153533309
                3p
                   -1 :              -0.00003283970256
                   +0 :               0.00002935672850
                   +1 :              -0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000109624384
                   +0 :               0.00000426928269
                   +1 :               0.00000159011543
                   +2 :               0.00000955638301
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :               0.00002831436404
                   +0 :              -0.00001666133492
                   +1 :              -0.00000153533309
                3p
                   -1 :               0.00003283970256
                   +0 :               0.00002935672850
                   +1 :               0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000109624384
                   +0 :               0.00000426928269
                   +1 :              -0.00000159011543
                   +2 :               0.00000955638301
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :               0.00002831436404
                   +0 :               0.00001666133492
                   +1 :               0.00000153533309
                3p
                   -1 :               0.00003283970256
                   +0 :              -0.00002935672850
                   +1 :              -0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000109624384
                   +0 :              -0.00000426928269
                   +1 :               0.00000159011543
                   +2 :              -0.00000955638301
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :               0.00000153533309
                   +0 :              -0.00001666133492
                   +1 :              -0.00002831436404
                3p
                   -1 :              -0.00000631089742
                   +0 :               0.00002935672850
                   +1 :              -0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000159011543
                   +0 :               0.00000426928269
                   +1 :              -0.00000109624384
                   +2 :              -0.00000955638301
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :               0.00000153533309
                   +0 :               0.00001666133492
                   +1 :               0.00002831436404
                3p
                   -1 :              -0.00000631089742
                   +0 :              -0.00002935672850
                   +1 :               0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000159011543
                   +0 :              -0.00000426928269
                   +1 :               0.00000109624384
                   +2 :               0.00000955638301
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000577307081
                2s
                   +0 :              -0.00005789608587
                3s
                   +0 :               0.00002095992636
                2p
                   -1 :              -0.00006508970734
                   +0 :              -0.00000805195990
                   +1 :              -0.00006508970734
                3p
                   -1 :               0.00000684976487
                   +0 :              -0.00003232686035
                   +1 :               0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :               0.00000219732225
                   +0 :              -0.00000462402349
                   +1 :               0.00000219732225
                   +2 :              -0.00000000000000
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000577307081
                2s
                   +0 :               0.00005789608587
                3s
                   +0 :              -0.00002095992636
                2p
                   -1 :              -0.00006508970734
                   +0 :               0.00000805195990
                   +1 :               0.00006508970734
                3p
                   -1 :               0.00000684976487
                   +0 :               0.00003232686035
                   +1 :              -0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :               0.00000219732225
                   +0 :               0.00000462402349
                   +1 :              -0.00000219732225
                   +2 :              -0.00000000000000
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000577307081
                2s
                   +0 :               0.00005789608587
                3s
                   +0 :              -0.00002095992636
                2p
                   -1 :               0.00006508970734
                   +0 :               0.00000805195990
                   +1 :              -0.00006508970734
                3p
                   -1 :              -0.00000684976487
                   +0 :               0.00003232686035
                   +1 :               0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :              -0.00000219732225
                   +0 :               0.00000462402349
                   +1 :               0.00000219732225
                   +2 :               0.00000000000000
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000577307081
                2s
                   +0 :              -0.00005789608587
                3s
                   +0 :               0.00002095992636
                2p
                   -1 :               0.00006508970734
                   +0 :              -0.00000805195990
                   +1 :               0.00006508970734
                3p
                   -1 :              -0.00000684976487
                   +0 :              -0.00003232686035
                   +1 :              -0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :              -0.00000219732225
                   +0 :              -0.00000462402349
                   +1 :              -0.00000219732225
                   +2 :              -0.00000000000000
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00001968077384
                2s
                   +0 :               0.00027135876264
                3s
                   +0 :              -0.00005464410505
                2p
                   -1 :              -0.00003775494113
                   +0 :               0.00032678230564
                   +1 :              -0.00003775494113
                3p
                   -1 :               0.00000122150672
                   +0 :              -0.00012938655782
                   +1 :               0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :              -0.00000347307005
                   +0 :              -0.00000000074896
                   +1 :              -0.00000347307005
                   +2 :              -0.00000000000000
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001968077384
                2s
                   +0 :              -0.00027135876264
                3s
                   +0 :               0.00005464410505
                2p
                   -1 :              -0.00003775494113
                   +0 :              -0.00032678230564
                   +1 :               0.00003775494113
                3p
                   -1 :               0.00000122150672
                   +0 :               0.00012938655782
                   +1 :              -0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :              -0.00000347307005
                   +0 :               0.00000000074896
                   +1 :               0.00000347307005
                   +2 :               0.00000000000000
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001968077384
                2s
                   +0 :              -0.00027135876264
                3s
                   +0 :               0.00005464410505
                2p
                   -1 :               0.00003775494113
                   +0 :              -0.00032678230564
                   +1 :              -0.00003775494113
                3p
                   -1 :              -0.00000122150672
                   +0 :               0.00012938655782
                   +1 :               0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :               0.00000347307005
                   +0 :               0.00000000074896
                   +1 :              -0.00000347307005
                   +2 :              -0.00000000000000
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00001968077384
                2s
                   +0 :               0.00027135876264
                3s
                   +0 :              -0.00005464410505
                2p
                   -1 :               0.00003775494113
                   +0 :               0.00032678230564
                   +1 :               0.00003775494113
                3p
                   -1 :              -0.00000122150672
                   +0 :              -0.00012938655782
                   +1 :              -0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :               0.00000347307005
                   +0 :              -0.00000000074896
                   +1 :               0.00000347307005
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cu 3d-2]  to site O (  7)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00032440739861
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00158977345679
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00086323680382
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00007548204247
                   -1 :               0.00000835567196
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00158977345679
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00086323680382
                3d
                   -2 :              -0.00007548204247
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000835567196
                   +2 :               0.00000000000000
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00158977345679
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00086323680382
                3d
                   -2 :              -0.00007548204247
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000835567196
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00158977345679
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00086323680382
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00007548204247
                   -1 :              -0.00000835567196
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00021597834284
                2s
                   +0 :              -0.00079220884966
                3s
                   +0 :               0.00073708553501
                2p
                   -1 :               0.00019761341323
                   +0 :              -0.00295562251398
                   +1 :               0.00019761341323
                3p
                   -1 :              -0.00017819186573
                   +0 :               0.00145437483863
                   +1 :              -0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :              -0.00001590895372
                   +0 :               0.00006030733205
                   +1 :              -0.00001590895372
                   +2 :              -0.00000000000000
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00021597834284
                2s
                   +0 :               0.00079220884966
                3s
                   +0 :              -0.00073708553501
                2p
                   -1 :               0.00019761341323
                   +0 :               0.00295562251398
                   +1 :              -0.00019761341323
                3p
                   -1 :              -0.00017819186573
                   +0 :              -0.00145437483863
                   +1 :               0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :              -0.00001590895372
                   +0 :              -0.00006030733205
                   +1 :               0.00001590895372
                   +2 :               0.00000000000000
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00021597834284
                2s
                   +0 :               0.00079220884966
                3s
                   +0 :              -0.00073708553501
                2p
                   -1 :              -0.00019761341323
                   +0 :               0.00295562251398
                   +1 :               0.00019761341323
                3p
                   -1 :               0.00017819186573
                   +0 :              -0.00145437483863
                   +1 :              -0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :               0.00001590895372
                   +0 :              -0.00006030733205
                   +1 :              -0.00001590895372
                   +2 :              -0.00000000000000
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00021597834284
                2s
                   +0 :              -0.00079220884966
                3s
                   +0 :               0.00073708553501
                2p
                   -1 :              -0.00019761341323
                   +0 :              -0.00295562251398
                   +1 :              -0.00019761341323
                3p
                   -1 :               0.00017819186573
                   +0 :               0.00145437483863
                   +1 :               0.00017819186573
                3d
                   -2 :               0.00000462139382
                   -1 :               0.00001590895372
                   +0 :               0.00006030733205
                   +1 :               0.00001590895372
                   +2 :               0.00000000000000
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005502093902
                2s
                   +0 :               0.00225849414710
                3s
                   +0 :              -0.00042843734188
                2p
                   -1 :              -0.00116142459147
                   +0 :              -0.00045164595630
                   +1 :              -0.00116142459147
                3p
                   -1 :               0.00039645842922
                   +0 :              -0.00001825157989
                   +1 :               0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :               0.00004471278746
                   +0 :              -0.00000870127124
                   +1 :               0.00004471278746
                   +2 :              -0.00000000000000
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00005502093902
                2s
                   +0 :              -0.00225849414710
                3s
                   +0 :               0.00042843734188
                2p
                   -1 :              -0.00116142459147
                   +0 :               0.00045164595630
                   +1 :               0.00116142459147
                3p
                   -1 :               0.00039645842922
                   +0 :               0.00001825157989
                   +1 :              -0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :               0.00004471278746
                   +0 :               0.00000870127124
                   +1 :              -0.00004471278746
                   +2 :               0.00000000000000
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00005502093902
                2s
                   +0 :              -0.00225849414710
                3s
                   +0 :               0.00042843734188
                2p
                   -1 :               0.00116142459147
                   +0 :               0.00045164595630
                   +1 :              -0.00116142459147
                3p
                   -1 :              -0.00039645842922
                   +0 :               0.00001825157989
                   +1 :               0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :              -0.00004471278746
                   +0 :               0.00000870127124
                   +1 :               0.00004471278746
                   +2 :               0.00000000000000
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005502093902
                2s
                   +0 :               0.00225849414710
                3s
                   +0 :              -0.00042843734188
                2p
                   -1 :               0.00116142459147
                   +0 :              -0.00045164595630
                   +1 :               0.00116142459147
                3p
                   -1 :              -0.00039645842922
                   +0 :              -0.00001825157989
                   +1 :              -0.00039645842922
                3d
                   -2 :              -0.00001303114017
                   -1 :              -0.00004471278746
                   +0 :              -0.00000870127124
                   +1 :              -0.00004471278746
                   +2 :              -0.00000000000000
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :               0.00001986787278
                   +0 :              -0.00048412791889
                   +1 :              -0.00025402306650
                3p
                   -1 :              -0.00003250763178
                   +0 :               0.00025401312022
                   +1 :               0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000588294312
                   +0 :               0.00001751247003
                   +1 :              -0.00000156327102
                   +2 :              -0.00000466047301
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :               0.00001986787278
                   +0 :               0.00048412791889
                   +1 :               0.00025402306650
                3p
                   -1 :              -0.00003250763178
                   +0 :              -0.00025401312022
                   +1 :              -0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000588294312
                   +0 :              -0.00001751247003
                   +1 :               0.00000156327102
                   +2 :               0.00000466047301
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :              -0.00025402306650
                   +0 :              -0.00048412791889
                   +1 :               0.00001986787278
                3p
                   -1 :               0.00010355172793
                   +0 :               0.00025401312022
                   +1 :              -0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000156327102
                   +0 :               0.00001751247003
                   +1 :              -0.00000588294312
                   +2 :               0.00000466047301
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :              -0.00025402306650
                   +0 :               0.00048412791889
                   +1 :              -0.00001986787278
                3p
                   -1 :               0.00010355172793
                   +0 :              -0.00025401312022
                   +1 :               0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :              -0.00000156327102
                   +0 :              -0.00001751247003
                   +1 :               0.00000588294312
                   +2 :              -0.00000466047301
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :               0.00025402306650
                   +0 :               0.00048412791889
                   +1 :               0.00001986787278
                3p
                   -1 :              -0.00010355172793
                   +0 :              -0.00025401312022
                   +1 :              -0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000156327102
                   +0 :              -0.00001751247003
                   +1 :              -0.00000588294312
                   +2 :              -0.00000466047301
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :               0.00025402306650
                   +0 :              -0.00048412791889
                   +1 :              -0.00001986787278
                3p
                   -1 :              -0.00010355172793
                   +0 :               0.00025401312022
                   +1 :               0.00003250763178
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000156327102
                   +0 :               0.00001751247003
                   +1 :               0.00000588294312
                   +2 :               0.00000466047301
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002736461027
                2s
                   +0 :               0.00021012175720
                3s
                   +0 :              -0.00011622713180
                2p
                   -1 :              -0.00001986787278
                   +0 :               0.00048412791889
                   +1 :              -0.00025402306650
                3p
                   -1 :               0.00003250763178
                   +0 :              -0.00025401312022
                   +1 :               0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000588294312
                   +0 :              -0.00001751247003
                   +1 :              -0.00000156327102
                   +2 :               0.00000466047301
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002736461027
                2s
                   +0 :              -0.00021012175720
                3s
                   +0 :               0.00011622713180
                2p
                   -1 :              -0.00001986787278
                   +0 :              -0.00048412791889
                   +1 :               0.00025402306650
                3p
                   -1 :               0.00003250763178
                   +0 :               0.00025401312022
                   +1 :              -0.00010355172793
                3d
                   -2 :               0.00000425880716
                   -1 :               0.00000588294312
                   +0 :               0.00001751247003
                   +1 :               0.00000156327102
                   +2 :              -0.00000466047301
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00015845940961
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00001228762804
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000991294244
                   -1 :               0.00000475943384
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00015845940961
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001228762804
                3d
                   -2 :               0.00000991294244
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000475943384
                   +2 :               0.00000000000000
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00015845940961
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001228762804
                3d
                   -2 :               0.00000991294244
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000475943384
                   +2 :               0.00000000000000
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00015845940961
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00001228762804
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000991294244
                   -1 :              -0.00000475943384
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :              -0.00000153533309
                   +0 :              -0.00001666133492
                   +1 :              -0.00002831436404
                3p
                   -1 :               0.00000631089742
                   +0 :               0.00002935672850
                   +1 :              -0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000159011543
                   +0 :              -0.00000426928269
                   +1 :               0.00000109624384
                   +2 :               0.00000955638301
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :              -0.00000153533309
                   +0 :               0.00001666133492
                   +1 :               0.00002831436404
                3p
                   -1 :               0.00000631089742
                   +0 :              -0.00002935672850
                   +1 :               0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000159011543
                   +0 :               0.00000426928269
                   +1 :              -0.00000109624384
                   +2 :              -0.00000955638301
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :              -0.00002831436404
                   +0 :              -0.00001666133492
                   +1 :              -0.00000153533309
                3p
                   -1 :              -0.00003283970256
                   +0 :               0.00002935672850
                   +1 :               0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000109624384
                   +0 :              -0.00000426928269
                   +1 :               0.00000159011543
                   +2 :              -0.00000955638301
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :              -0.00002831436404
                   +0 :               0.00001666133492
                   +1 :               0.00000153533309
                3p
                   -1 :              -0.00003283970256
                   +0 :              -0.00002935672850
                   +1 :              -0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :               0.00000109624384
                   +0 :               0.00000426928269
                   +1 :              -0.00000159011543
                   +2 :               0.00000955638301
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :               0.00002831436404
                   +0 :               0.00001666133492
                   +1 :              -0.00000153533309
                3p
                   -1 :               0.00003283970256
                   +0 :              -0.00002935672850
                   +1 :               0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000109624384
                   +0 :               0.00000426928269
                   +1 :               0.00000159011543
                   +2 :               0.00000955638301
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :               0.00002831436404
                   +0 :              -0.00001666133492
                   +1 :               0.00000153533309
                3p
                   -1 :               0.00003283970256
                   +0 :               0.00002935672850
                   +1 :              -0.00000631089742
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000109624384
                   +0 :              -0.00000426928269
                   +1 :              -0.00000159011543
                   +2 :              -0.00000955638301
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000347400241
                2s
                   +0 :               0.00004609412287
                3s
                   +0 :              -0.00001927877130
                2p
                   -1 :               0.00000153533309
                   +0 :               0.00001666133492
                   +1 :              -0.00002831436404
                3p
                   -1 :              -0.00000631089742
                   +0 :              -0.00002935672850
                   +1 :              -0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000159011543
                   +0 :               0.00000426928269
                   +1 :               0.00000109624384
                   +2 :              -0.00000955638301
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000347400241
                2s
                   +0 :              -0.00004609412287
                3s
                   +0 :               0.00001927877130
                2p
                   -1 :               0.00000153533309
                   +0 :              -0.00001666133492
                   +1 :               0.00002831436404
                3p
                   -1 :              -0.00000631089742
                   +0 :               0.00002935672850
                   +1 :               0.00003283970256
                3d
                   -2 :               0.00000061764484
                   -1 :              -0.00000159011543
                   +0 :              -0.00000426928269
                   +1 :              -0.00000109624384
                   +2 :               0.00000955638301
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000577307081
                2s
                   +0 :              -0.00005789608587
                3s
                   +0 :               0.00002095992636
                2p
                   -1 :              -0.00006508970734
                   +0 :               0.00000805195990
                   +1 :              -0.00006508970734
                3p
                   -1 :               0.00000684976487
                   +0 :               0.00003232686035
                   +1 :               0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :              -0.00000219732225
                   +0 :              -0.00000462402349
                   +1 :              -0.00000219732225
                   +2 :              -0.00000000000000
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000577307081
                2s
                   +0 :               0.00005789608587
                3s
                   +0 :              -0.00002095992636
                2p
                   -1 :              -0.00006508970734
                   +0 :              -0.00000805195990
                   +1 :               0.00006508970734
                3p
                   -1 :               0.00000684976487
                   +0 :              -0.00003232686035
                   +1 :              -0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :              -0.00000219732225
                   +0 :               0.00000462402349
                   +1 :               0.00000219732225
                   +2 :               0.00000000000000
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000577307081
                2s
                   +0 :               0.00005789608587
                3s
                   +0 :              -0.00002095992636
                2p
                   -1 :               0.00006508970734
                   +0 :              -0.00000805195990
                   +1 :              -0.00006508970734
                3p
                   -1 :              -0.00000684976487
                   +0 :              -0.00003232686035
                   +1 :               0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :               0.00000219732225
                   +0 :               0.00000462402349
                   +1 :              -0.00000219732225
                   +2 :              -0.00000000000000
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000577307081
                2s
                   +0 :              -0.00005789608587
                3s
                   +0 :               0.00002095992636
                2p
                   -1 :               0.00006508970734
                   +0 :               0.00000805195990
                   +1 :               0.00006508970734
                3p
                   -1 :              -0.00000684976487
                   +0 :               0.00003232686035
                   +1 :              -0.00000684976487
                3d
                   -2 :               0.00000375078277
                   -1 :               0.00000219732225
                   +0 :              -0.00000462402349
                   +1 :               0.00000219732225
                   +2 :              -0.00000000000000
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00001968077384
                2s
                   +0 :               0.00027135876264
                3s
                   +0 :              -0.00005464410505
                2p
                   -1 :              -0.00003775494113
                   +0 :              -0.00032678230564
                   +1 :              -0.00003775494113
                3p
                   -1 :               0.00000122150672
                   +0 :               0.00012938655782
                   +1 :               0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :               0.00000347307005
                   +0 :              -0.00000000074896
                   +1 :               0.00000347307005
                   +2 :               0.00000000000000
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001968077384
                2s
                   +0 :              -0.00027135876264
                3s
                   +0 :               0.00005464410505
                2p
                   -1 :              -0.00003775494113
                   +0 :               0.00032678230564
                   +1 :               0.00003775494113
                3p
                   -1 :               0.00000122150672
                   +0 :              -0.00012938655782
                   +1 :              -0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :               0.00000347307005
                   +0 :               0.00000000074896
                   +1 :              -0.00000347307005
                   +2 :              -0.00000000000000
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001968077384
                2s
                   +0 :              -0.00027135876264
                3s
                   +0 :               0.00005464410505
                2p
                   -1 :               0.00003775494113
                   +0 :               0.00032678230564
                   +1 :              -0.00003775494113
                3p
                   -1 :              -0.00000122150672
                   +0 :              -0.00012938655782
                   +1 :               0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :              -0.00000347307005
                   +0 :               0.00000000074896
                   +1 :               0.00000347307005
                   +2 :               0.00000000000000
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00001968077384
                2s
                   +0 :               0.00027135876264
                3s
                   +0 :              -0.00005464410505
                2p
                   -1 :               0.00003775494113
                   +0 :              -0.00032678230564
                   +1 :               0.00003775494113
                3p
                   -1 :              -0.00000122150672
                   +0 :               0.00012938655782
                   +1 :              -0.00000122150672
                3d
                   -2 :               0.00000121724642
                   -1 :              -0.00000347307005
                   +0 :              -0.00000000074896
                   +1 :              -0.00000347307005
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :               0.00918075911824
                   +0 :               0.00820779043695
                   +1 :               0.01006943270495
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :               0.01323861248020
                   +0 :              -0.00141219147339
                   +1 :               0.00237031735017
                   +2 :              -0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :               0.00083762164130
                   +1 :              -0.00047471010057
                   +2 :               0.00023426682504
                6p
                   -1 :               0.00150686903794
                   +0 :               0.00132402046534
                   +1 :               0.00089101872021
                4f
                   -3 :               0.00438320125995
                   -2 :               0.00894932894794
                   -1 :               0.00165809558427
                   +0 :              -0.00143959051890
                   +1 :              -0.00110679581476
                   +2 :              -0.00423642222172
                   +3 :              -0.00559523831698
              2 vec=    -3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :               0.00918075911824
                   +0 :              -0.00820779043695
                   +1 :              -0.01006943270495
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :               0.01323861248020
                   +0 :               0.00141219147339
                   +1 :              -0.00237031735017
                   +2 :               0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :              -0.00083762164130
                   +1 :               0.00047471010057
                   +2 :              -0.00023426682504
                6p
                   -1 :               0.00150686903794
                   +0 :              -0.00132402046534
                   +1 :              -0.00089101872021
                4f
                   -3 :               0.00438320125995
                   -2 :               0.00894932894794
                   -1 :               0.00165809558427
                   +0 :               0.00143959051890
                   +1 :               0.00110679581476
                   +2 :               0.00423642222172
                   +3 :               0.00559523831698
              3 vec=     3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :               0.00918075911824
                   +0 :               0.00820779043695
                   +1 :              -0.01006943270495
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :               0.01323861248020
                   +0 :              -0.00141219147339
                   +1 :              -0.00237031735017
                   +2 :              -0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :               0.00083762164130
                   +1 :               0.00047471010057
                   +2 :               0.00023426682504
                6p
                   -1 :               0.00150686903794
                   +0 :               0.00132402046534
                   +1 :              -0.00089101872021
                4f
                   -3 :               0.00438320125995
                   -2 :              -0.00894932894794
                   -1 :               0.00165809558427
                   +0 :              -0.00143959051890
                   +1 :               0.00110679581476
                   +2 :              -0.00423642222172
                   +3 :               0.00559523831698
              4 vec=     3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :               0.00918075911824
                   +0 :              -0.00820779043695
                   +1 :               0.01006943270495
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :               0.01323861248020
                   +0 :               0.00141219147339
                   +1 :               0.00237031735017
                   +2 :               0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :              -0.00083762164130
                   +1 :              -0.00047471010057
                   +2 :              -0.00023426682504
                6p
                   -1 :               0.00150686903794
                   +0 :              -0.00132402046534
                   +1 :               0.00089101872021
                4f
                   -3 :               0.00438320125995
                   -2 :              -0.00894932894794
                   -1 :               0.00165809558427
                   +0 :               0.00143959051890
                   +1 :              -0.00110679581476
                   +2 :               0.00423642222172
                   +3 :              -0.00559523831698
              5 vec=     0.000000      0.000000      9.013109   |vec|=    9.013109
                5p
                   -1 :              -0.00120434408547
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00840042863155
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00213710828165
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00070602537952
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00035238210824
                   -2 :               0.00000000000000
                   -1 :              -0.00412635634967
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
              6 vec=    -7.146377      0.000000      9.013109   |vec|=   11.502471
                5p
                   -1 :               0.00021935910533
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :              -0.00003109963235
                   -1 :               0.00026690997072
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00007406511935
                   -1 :              -0.00036032330886
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00020624881958
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00010753998617
                   -2 :               0.00010939815685
                   -1 :               0.00024352584102
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
              7 vec=     0.000000     -7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00037082887789
                5p
                   -1 :               0.00022496213041
                   +0 :              -0.00034415724389
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00073728670007
                7s
                   +0 :              -0.00004027360594
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00132027982909
                   +0 :               0.00219621799344
                   +1 :              -0.00000000000000
                   +2 :              -0.00012371936181
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00018451115026
                   +0 :              -0.00016140266983
                   +1 :               0.00000000000000
                   +2 :               0.00030112901203
                6p
                   -1 :              -0.00005440171325
                   +0 :              -0.00025124853999
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00018668436934
                   -2 :              -0.00000000000000
                   -1 :              -0.00106737132042
                   +0 :              -0.00129497146417
                   +1 :              -0.00000000000000
                   +2 :              -0.00002500471048
                   +3 :               0.00000000000000
              8 vec=     0.000000      7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00037082887789
                5p
                   -1 :               0.00022496213041
                   +0 :               0.00034415724389
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00073728670007
                7s
                   +0 :               0.00004027360594
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00132027982909
                   +0 :              -0.00219621799344
                   +1 :               0.00000000000000
                   +2 :               0.00012371936181
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00018451115026
                   +0 :               0.00016140266983
                   +1 :              -0.00000000000000
                   +2 :              -0.00030112901203
                6p
                   -1 :              -0.00005440171325
                   +0 :               0.00025124853999
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00018668436934
                   -2 :              -0.00000000000000
                   -1 :              -0.00106737132042
                   +0 :               0.00129497146417
                   +1 :               0.00000000000000
                   +2 :               0.00002500471048
                   +3 :              -0.00000000000000
              9 vec=     7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00021935910533
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003109963235
                   -1 :               0.00026690997072
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00007406511935
                   -1 :              -0.00036032330886
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00020624881958
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00010753998617
                   -2 :              -0.00010939815685
                   -1 :               0.00024352584102
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             10 vec=   -10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :               0.00022150219670
                   +0 :               0.00004878771964
                   +1 :               0.00060602430530
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :               0.00003042142902
                   +0 :               0.00007847895243
                   +1 :              -0.00007884119212
                   +2 :              -0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :              -0.00007536848171
                   +1 :               0.00008222869696
                   +2 :               0.00015884517770
                6p
                   -1 :              -0.00008919085440
                   +0 :              -0.00004746958958
                   +1 :              -0.00021877242616
                4f
                   -3 :               0.00015081759063
                   -2 :              -0.00007205089713
                   -1 :              -0.00005642192822
                   +0 :               0.00013448557196
                   +1 :               0.00010418987561
                   +2 :               0.00008962319643
                   +3 :              -0.00040392243216
             11 vec=   -10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :               0.00022150219670
                   +0 :              -0.00004878771964
                   +1 :              -0.00060602430530
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :               0.00003042142902
                   +0 :              -0.00007847895243
                   +1 :               0.00007884119212
                   +2 :               0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :               0.00007536848171
                   +1 :              -0.00008222869696
                   +2 :              -0.00015884517770
                6p
                   -1 :              -0.00008919085440
                   +0 :               0.00004746958958
                   +1 :               0.00021877242616
                4f
                   -3 :               0.00015081759063
                   -2 :              -0.00007205089713
                   -1 :              -0.00005642192822
                   +0 :              -0.00013448557196
                   +1 :              -0.00010418987561
                   +2 :              -0.00008962319643
                   +3 :               0.00040392243216
             12 vec=    -3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :               0.00036492192273
                   +0 :               0.00008543656121
                   +1 :              -0.00017124346051
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :              -0.00041723087753
                   +1 :               0.00078485342037
                   +2 :              -0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :               0.00024374758077
                   +0 :               0.00021313934191
                   +1 :              -0.00024504126512
                   +2 :               0.00026276290625
                6p
                   -1 :               0.00012778319443
                   +0 :               0.00003382027162
                   +1 :              -0.00017010959079
                4f
                   -3 :              -0.00079793906296
                   -2 :              -0.00013547449566
                   -1 :              -0.00031870171345
                   +0 :              -0.00039878989582
                   +1 :              -0.00011857979787
                   +2 :               0.00004026880667
                   +3 :               0.00012638213085
             13 vec=    -3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :               0.00036492192273
                   +0 :              -0.00008543656121
                   +1 :               0.00017124346051
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :               0.00041723087753
                   +1 :              -0.00078485342037
                   +2 :               0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :               0.00024374758077
                   +0 :              -0.00021313934191
                   +1 :               0.00024504126512
                   +2 :              -0.00026276290625
                6p
                   -1 :               0.00012778319443
                   +0 :              -0.00003382027162
                   +1 :               0.00017010959079
                4f
                   -3 :              -0.00079793906296
                   -2 :              -0.00013547449566
                   -1 :              -0.00031870171345
                   +0 :               0.00039878989582
                   +1 :               0.00011857979787
                   +2 :              -0.00004026880667
                   +3 :              -0.00012638213085
             14 vec=     3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :               0.00036492192273
                   +0 :               0.00008543656121
                   +1 :               0.00017124346051
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :              -0.00041723087753
                   +1 :              -0.00078485342037
                   +2 :              -0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :               0.00024374758077
                   +0 :               0.00021313934191
                   +1 :               0.00024504126512
                   +2 :               0.00026276290625
                6p
                   -1 :               0.00012778319443
                   +0 :               0.00003382027162
                   +1 :               0.00017010959079
                4f
                   -3 :              -0.00079793906296
                   -2 :               0.00013547449566
                   -1 :              -0.00031870171345
                   +0 :              -0.00039878989582
                   +1 :               0.00011857979787
                   +2 :               0.00004026880667
                   +3 :              -0.00012638213085
             15 vec=     3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :               0.00036492192273
                   +0 :              -0.00008543656121
                   +1 :              -0.00017124346051
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :               0.00041723087753
                   +1 :               0.00078485342037
                   +2 :               0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :               0.00024374758077
                   +0 :              -0.00021313934191
                   +1 :              -0.00024504126512
                   +2 :              -0.00026276290625
                6p
                   -1 :               0.00012778319443
                   +0 :              -0.00003382027162
                   +1 :              -0.00017010959079
                4f
                   -3 :              -0.00079793906296
                   -2 :               0.00013547449566
                   -1 :              -0.00031870171345
                   +0 :               0.00039878989582
                   +1 :              -0.00011857979787
                   +2 :              -0.00004026880667
                   +3 :               0.00012638213085
             16 vec=    10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :               0.00022150219670
                   +0 :               0.00004878771964
                   +1 :              -0.00060602430530
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :               0.00003042142902
                   +0 :               0.00007847895243
                   +1 :               0.00007884119212
                   +2 :              -0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :              -0.00007536848171
                   +1 :              -0.00008222869696
                   +2 :               0.00015884517770
                6p
                   -1 :              -0.00008919085440
                   +0 :              -0.00004746958958
                   +1 :               0.00021877242616
                4f
                   -3 :               0.00015081759063
                   -2 :               0.00007205089713
                   -1 :              -0.00005642192822
                   +0 :               0.00013448557196
                   +1 :              -0.00010418987561
                   +2 :               0.00008962319643
                   +3 :               0.00040392243216
             17 vec=    10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :               0.00022150219670
                   +0 :              -0.00004878771964
                   +1 :               0.00060602430530
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :               0.00003042142902
                   +0 :              -0.00007847895243
                   +1 :              -0.00007884119212
                   +2 :               0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :               0.00007536848171
                   +1 :               0.00008222869696
                   +2 :              -0.00015884517770
                6p
                   -1 :              -0.00008919085440
                   +0 :               0.00004746958958
                   +1 :              -0.00021877242616
                4f
                   -3 :               0.00015081759063
                   -2 :               0.00007205089713
                   -1 :              -0.00005642192822
                   +0 :              -0.00013448557196
                   +1 :               0.00010418987561
                   +2 :              -0.00008962319643
                   +3 :              -0.00040392243216
             18 vec=    -7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :               0.00015071243216
                   +0 :              -0.00017725308646
                   +1 :               0.00022216113973
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :              -0.00058209000798
                   +1 :              -0.00022471179411
                   +2 :               0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :               0.00015767359678
                   +1 :              -0.00011480792132
                   +2 :               0.00006142552179
                6p
                   -1 :              -0.00004372398918
                   +0 :               0.00019441966167
                   +1 :              -0.00008952325320
                4f
                   -3 :               0.00011589640300
                   -2 :              -0.00012390387366
                   -1 :              -0.00006014367620
                   +0 :               0.00027945386608
                   +1 :               0.00010550679987
                   +2 :              -0.00007940382059
                   +3 :              -0.00002411871341
             19 vec=    -7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :               0.00015071243216
                   +0 :               0.00017725308646
                   +1 :              -0.00022216113973
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :               0.00058209000798
                   +1 :               0.00022471179411
                   +2 :              -0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :              -0.00015767359678
                   +1 :               0.00011480792132
                   +2 :              -0.00006142552179
                6p
                   -1 :              -0.00004372398918
                   +0 :              -0.00019441966167
                   +1 :               0.00008952325320
                4f
                   -3 :               0.00011589640300
                   -2 :              -0.00012390387366
                   -1 :              -0.00006014367620
                   +0 :              -0.00027945386608
                   +1 :              -0.00010550679987
                   +2 :               0.00007940382059
                   +3 :               0.00002411871341
             20 vec=     7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :               0.00015071243216
                   +0 :              -0.00017725308646
                   +1 :              -0.00022216113973
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :              -0.00058209000798
                   +1 :               0.00022471179411
                   +2 :               0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :               0.00015767359678
                   +1 :               0.00011480792132
                   +2 :               0.00006142552179
                6p
                   -1 :              -0.00004372398918
                   +0 :               0.00019441966167
                   +1 :               0.00008952325320
                4f
                   -3 :               0.00011589640300
                   -2 :               0.00012390387366
                   -1 :              -0.00006014367620
                   +0 :               0.00027945386608
                   +1 :              -0.00010550679987
                   +2 :              -0.00007940382059
                   +3 :               0.00002411871341
             21 vec=     7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :               0.00015071243216
                   +0 :               0.00017725308646
                   +1 :               0.00022216113973
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :               0.00058209000798
                   +1 :              -0.00022471179411
                   +2 :              -0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :              -0.00015767359678
                   +1 :              -0.00011480792132
                   +2 :              -0.00006142552179
                6p
                   -1 :              -0.00004372398918
                   +0 :              -0.00019441966167
                   +1 :              -0.00008952325320
                4f
                   -3 :               0.00011589640300
                   -2 :               0.00012390387366
                   -1 :              -0.00006014367620
                   +0 :              -0.00027945386608
                   +1 :               0.00010550679987
                   +2 :               0.00007940382059
                   +3 :              -0.00002411871341
             22 vec=   -10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :               0.00016811232457
                   +0 :              -0.00002687112350
                   +1 :               0.00017016962435
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :              -0.00001375607359
                   +1 :              -0.00004697108333
                   +2 :               0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :              -0.00007452822599
                   +1 :              -0.00001446137177
                   +2 :               0.00000886563555
                6p
                   -1 :              -0.00002835816229
                   +0 :              -0.00001834237304
                   +1 :              -0.00009083336208
                4f
                   -3 :              -0.00000158870205
                   -2 :              -0.00003644920625
                   -1 :              -0.00001028658818
                   +0 :               0.00005012668599
                   +1 :              -0.00001500107424
                   +2 :              -0.00005650957846
                   +3 :               0.00000408282027
             23 vec=   -10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :               0.00016811232457
                   +0 :               0.00002687112350
                   +1 :              -0.00017016962435
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :               0.00001375607359
                   +1 :               0.00004697108333
                   +2 :              -0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :               0.00007452822599
                   +1 :               0.00001446137177
                   +2 :              -0.00000886563555
                6p
                   -1 :              -0.00002835816229
                   +0 :               0.00001834237304
                   +1 :               0.00009083336208
                4f
                   -3 :              -0.00000158870205
                   -2 :              -0.00003644920625
                   -1 :              -0.00001028658818
                   +0 :              -0.00005012668599
                   +1 :               0.00001500107424
                   +2 :               0.00005650957846
                   +3 :              -0.00000408282027
             24 vec=    10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :               0.00016811232457
                   +0 :              -0.00002687112350
                   +1 :              -0.00017016962435
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :              -0.00001375607359
                   +1 :               0.00004697108333
                   +2 :               0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :              -0.00007452822599
                   +1 :               0.00001446137177
                   +2 :               0.00000886563555
                6p
                   -1 :              -0.00002835816229
                   +0 :              -0.00001834237304
                   +1 :               0.00009083336208
                4f
                   -3 :              -0.00000158870205
                   -2 :               0.00003644920625
                   -1 :              -0.00001028658818
                   +0 :               0.00005012668599
                   +1 :               0.00001500107424
                   +2 :              -0.00005650957846
                   +3 :              -0.00000408282027
             25 vec=    10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :               0.00016811232457
                   +0 :               0.00002687112350
                   +1 :               0.00017016962435
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :               0.00001375607359
                   +1 :              -0.00004697108333
                   +2 :              -0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :               0.00007452822599
                   +1 :              -0.00001446137177
                   +2 :              -0.00000886563555
                6p
                   -1 :              -0.00002835816229
                   +0 :               0.00001834237304
                   +1 :              -0.00009083336208
                4f
                   -3 :              -0.00000158870205
                   -2 :               0.00003644920625
                   -1 :              -0.00001028658818
                   +0 :              -0.00005012668599
                   +1 :              -0.00001500107424
                   +2 :               0.00005650957846
                   +3 :               0.00000408282027
             26 vec=     0.000000      0.000000    -16.023305   |vec|=   16.023305
                5p
                   -1 :               0.00015403445011
                   +1 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00014019334219
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00025909537148
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00011419839182
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000072643082
                   -2 :              -0.00000000000000
                   -1 :               0.00009235675385
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             27 vec=   -14.292755      0.000000      9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00002029642101
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00001748751090
                   -1 :               0.00001555784503
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000090517243
                   -1 :              -0.00001951388532
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000103881662
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00003426841897
                   -2 :               0.00001376698050
                   -1 :              -0.00000811986389
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             28 vec=     0.000000    -14.292755      9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00011964639592
                5p
                   -1 :              -0.00000062859138
                   +0 :               0.00011037552913
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00018801100992
                7s
                   +0 :               0.00001413652691
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00019549229930
                   +0 :              -0.00004741540862
                   +1 :              -0.00000000000000
                   +2 :               0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00009050444473
                   +0 :              -0.00003353515715
                   +1 :              -0.00000000000000
                   +2 :              -0.00004031389134
                6p
                   -1 :               0.00004442995287
                   +0 :              -0.00006899066649
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00012233642772
                   -2 :              -0.00000000000000
                   -1 :               0.00010161769856
                   +0 :               0.00011912160505
                   +1 :              -0.00000000000000
                   +2 :              -0.00012184888737
                   +3 :               0.00000000000000
             29 vec=     0.000000     14.292755      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00011964639592
                5p
                   -1 :              -0.00000062859138
                   +0 :              -0.00011037552913
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00018801100992
                7s
                   +0 :              -0.00001413652691
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00019549229930
                   +0 :               0.00004741540862
                   +1 :               0.00000000000000
                   +2 :              -0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00009050444473
                   +0 :               0.00003353515715
                   +1 :              -0.00000000000000
                   +2 :               0.00004031389134
                6p
                   -1 :               0.00004442995287
                   +0 :               0.00006899066649
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00012233642772
                   -1 :               0.00010161769856
                   +0 :              -0.00011912160505
                   +1 :               0.00000000000000
                   +2 :               0.00012184888737
                   +3 :               0.00000000000000
             30 vec=    14.292755      0.000000      9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00002029642101
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00001748751090
                   -1 :               0.00001555784503
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000090517243
                   -1 :              -0.00001951388532
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000103881662
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00003426841897
                   -2 :              -0.00001376698050
                   -1 :              -0.00000811986389
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             31 vec=    -7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00001179349420
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :              -0.00002531427750
                   -1 :              -0.00007553117190
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000946074812
                   -1 :               0.00004315178993
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00002339214795
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000735074585
                   -2 :              -0.00001983062578
                   -1 :              -0.00000935794871
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             32 vec=     0.000000     -7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00024364432209
                5p
                   -1 :               0.00018193738811
                   +0 :               0.00017743878609
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00026664776583
                7s
                   +0 :              -0.00005237234326
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00002289194563
                   +0 :              -0.00019236679373
                   +1 :               0.00000000000000
                   +2 :              -0.00015658988557
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00014254131253
                   +0 :               0.00007061146374
                   +1 :              -0.00000000000000
                   +2 :              -0.00002934444292
                6p
                   -1 :              -0.00006224639916
                   +0 :              -0.00007944559001
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000248135807
                   -2 :               0.00000000000000
                   -1 :               0.00005182317248
                   +0 :              -0.00006090103581
                   +1 :               0.00000000000000
                   +2 :              -0.00010746244125
                   +3 :              -0.00000000000000
             33 vec=     0.000000      7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00024364432209
                5p
                   -1 :               0.00018193738811
                   +0 :              -0.00017743878609
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00026664776583
                7s
                   +0 :               0.00005237234326
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00002289194563
                   +0 :               0.00019236679373
                   +1 :              -0.00000000000000
                   +2 :               0.00015658988557
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00014254131253
                   +0 :              -0.00007061146374
                   +1 :              -0.00000000000000
                   +2 :               0.00002934444292
                6p
                   -1 :              -0.00006224639916
                   +0 :               0.00007944559001
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000248135807
                   -2 :               0.00000000000000
                   -1 :               0.00005182317248
                   +0 :               0.00006090103581
                   +1 :              -0.00000000000000
                   +2 :               0.00010746244125
                   +3 :               0.00000000000000
             34 vec=     7.146377      0.000000    -16.023305   |vec|=   17.544715
                5p
                   -1 :               0.00001179349420
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :               0.00002531427750
                   -1 :              -0.00007553117190
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000946074812
                   -1 :               0.00004315178993
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00002339214795
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000735074585
                   -2 :               0.00001983062578
                   -1 :              -0.00000935794871
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :              -0.00918075911824
                   +0 :               0.00820779043695
                   +1 :              -0.01006943270495
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :               0.01323861248020
                   +0 :               0.00141219147339
                   +1 :               0.00237031735017
                   +2 :               0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :              -0.00083762164130
                   +1 :              -0.00047471010057
                   +2 :              -0.00023426682504
                6p
                   -1 :              -0.00150686903794
                   +0 :               0.00132402046534
                   +1 :              -0.00089101872021
                4f
                   -3 :              -0.00438320125995
                   -2 :               0.00894932894794
                   -1 :              -0.00165809558427
                   +0 :              -0.00143959051890
                   +1 :               0.00110679581476
                   +2 :              -0.00423642222172
                   +3 :               0.00559523831698
              2 vec=    -3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :              -0.00918075911824
                   +0 :              -0.00820779043695
                   +1 :               0.01006943270495
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :               0.01323861248020
                   +0 :              -0.00141219147339
                   +1 :              -0.00237031735017
                   +2 :              -0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :               0.00083762164130
                   +1 :               0.00047471010057
                   +2 :               0.00023426682504
                6p
                   -1 :              -0.00150686903794
                   +0 :              -0.00132402046534
                   +1 :               0.00089101872021
                4f
                   -3 :              -0.00438320125995
                   -2 :               0.00894932894794
                   -1 :              -0.00165809558427
                   +0 :               0.00143959051890
                   +1 :              -0.00110679581476
                   +2 :               0.00423642222172
                   +3 :              -0.00559523831698
              3 vec=     3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :              -0.00918075911824
                   +0 :               0.00820779043695
                   +1 :               0.01006943270495
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :               0.01323861248020
                   +0 :               0.00141219147339
                   +1 :              -0.00237031735017
                   +2 :               0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :              -0.00083762164130
                   +1 :               0.00047471010057
                   +2 :              -0.00023426682504
                6p
                   -1 :              -0.00150686903794
                   +0 :               0.00132402046534
                   +1 :               0.00089101872021
                4f
                   -3 :              -0.00438320125995
                   -2 :              -0.00894932894794
                   -1 :              -0.00165809558427
                   +0 :              -0.00143959051890
                   +1 :              -0.00110679581476
                   +2 :              -0.00423642222172
                   +3 :              -0.00559523831698
              4 vec=     3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :              -0.00918075911824
                   +0 :              -0.00820779043695
                   +1 :              -0.01006943270495
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :               0.01323861248020
                   +0 :              -0.00141219147339
                   +1 :               0.00237031735017
                   +2 :              -0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :              -0.00077285211073
                   +0 :               0.00083762164130
                   +1 :              -0.00047471010057
                   +2 :               0.00023426682504
                6p
                   -1 :              -0.00150686903794
                   +0 :              -0.00132402046534
                   +1 :              -0.00089101872021
                4f
                   -3 :              -0.00438320125995
                   -2 :              -0.00894932894794
                   -1 :              -0.00165809558427
                   +0 :               0.00143959051890
                   +1 :               0.00110679581476
                   +2 :               0.00423642222172
                   +3 :               0.00559523831698
              5 vec=     0.000000      0.000000     -9.013109   |vec|=    9.013109
                5p
                   -1 :               0.00120434408547
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00840042863155
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00213710828165
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00070602537952
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00035238210824
                   -2 :              -0.00000000000000
                   -1 :               0.00412635634967
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
              6 vec=    -7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00021935910533
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00003109963235
                   -1 :               0.00026690997072
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00007406511935
                   -1 :              -0.00036032330886
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00020624881958
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00010753998617
                   -2 :               0.00010939815685
                   -1 :              -0.00024352584102
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              7 vec=     0.000000     -7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00037082887789
                5p
                   -1 :              -0.00022496213041
                   +0 :              -0.00034415724389
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00073728670007
                7s
                   +0 :               0.00004027360594
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00132027982909
                   +0 :              -0.00219621799344
                   +1 :               0.00000000000000
                   +2 :               0.00012371936181
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00018451115026
                   +0 :               0.00016140266983
                   +1 :              -0.00000000000000
                   +2 :              -0.00030112901203
                6p
                   -1 :               0.00005440171325
                   +0 :              -0.00025124853999
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00018668436934
                   -2 :               0.00000000000000
                   -1 :               0.00106737132042
                   +0 :              -0.00129497146417
                   +1 :              -0.00000000000000
                   +2 :              -0.00002500471048
                   +3 :               0.00000000000000
              8 vec=     0.000000      7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00037082887789
                5p
                   -1 :              -0.00022496213041
                   +0 :               0.00034415724389
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00073728670007
                7s
                   +0 :              -0.00004027360594
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00132027982909
                   +0 :               0.00219621799344
                   +1 :              -0.00000000000000
                   +2 :              -0.00012371936181
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00018451115026
                   +0 :              -0.00016140266983
                   +1 :               0.00000000000000
                   +2 :               0.00030112901203
                6p
                   -1 :               0.00005440171325
                   +0 :               0.00025124853999
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00018668436934
                   -2 :               0.00000000000000
                   -1 :               0.00106737132042
                   +0 :               0.00129497146417
                   +1 :               0.00000000000000
                   +2 :               0.00002500471048
                   +3 :              -0.00000000000000
              9 vec=     7.146377      0.000000     -9.013109   |vec|=   11.502471
                5p
                   -1 :              -0.00021935910533
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00003109963235
                   -1 :               0.00026690997072
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00007406511935
                   -1 :              -0.00036032330886
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00020624881958
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00010753998617
                   -2 :              -0.00010939815685
                   -1 :              -0.00024352584102
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             10 vec=   -10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :              -0.00022150219670
                   +0 :               0.00004878771964
                   +1 :              -0.00060602430530
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :               0.00003042142902
                   +0 :              -0.00007847895243
                   +1 :              -0.00007884119212
                   +2 :               0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :               0.00007536848171
                   +1 :               0.00008222869696
                   +2 :              -0.00015884517770
                6p
                   -1 :               0.00008919085440
                   +0 :              -0.00004746958958
                   +1 :               0.00021877242616
                4f
                   -3 :              -0.00015081759063
                   -2 :              -0.00007205089713
                   -1 :               0.00005642192822
                   +0 :               0.00013448557196
                   +1 :              -0.00010418987561
                   +2 :               0.00008962319643
                   +3 :               0.00040392243216
             11 vec=   -10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :              -0.00022150219670
                   +0 :              -0.00004878771964
                   +1 :               0.00060602430530
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :               0.00003042142902
                   +0 :               0.00007847895243
                   +1 :               0.00007884119212
                   +2 :              -0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :              -0.00007536848171
                   +1 :              -0.00008222869696
                   +2 :               0.00015884517770
                6p
                   -1 :               0.00008919085440
                   +0 :               0.00004746958958
                   +1 :              -0.00021877242616
                4f
                   -3 :              -0.00015081759063
                   -2 :              -0.00007205089713
                   -1 :               0.00005642192822
                   +0 :              -0.00013448557196
                   +1 :               0.00010418987561
                   +2 :              -0.00008962319643
                   +3 :              -0.00040392243216
             12 vec=    -3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :              -0.00036492192273
                   +0 :               0.00008543656121
                   +1 :               0.00017124346051
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :               0.00041723087753
                   +1 :               0.00078485342037
                   +2 :               0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :               0.00024374758077
                   +0 :              -0.00021313934191
                   +1 :              -0.00024504126512
                   +2 :              -0.00026276290625
                6p
                   -1 :              -0.00012778319443
                   +0 :               0.00003382027162
                   +1 :               0.00017010959079
                4f
                   -3 :               0.00079793906296
                   -2 :              -0.00013547449566
                   -1 :               0.00031870171345
                   +0 :              -0.00039878989582
                   +1 :               0.00011857979787
                   +2 :               0.00004026880667
                   +3 :              -0.00012638213085
             13 vec=    -3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :              -0.00036492192273
                   +0 :              -0.00008543656121
                   +1 :              -0.00017124346051
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :              -0.00041723087753
                   +1 :              -0.00078485342037
                   +2 :              -0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :               0.00024374758077
                   +0 :               0.00021313934191
                   +1 :               0.00024504126512
                   +2 :               0.00026276290625
                6p
                   -1 :              -0.00012778319443
                   +0 :              -0.00003382027162
                   +1 :              -0.00017010959079
                4f
                   -3 :               0.00079793906296
                   -2 :              -0.00013547449566
                   -1 :               0.00031870171345
                   +0 :               0.00039878989582
                   +1 :              -0.00011857979787
                   +2 :              -0.00004026880667
                   +3 :               0.00012638213085
             14 vec=     3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :              -0.00036492192273
                   +0 :               0.00008543656121
                   +1 :              -0.00017124346051
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :               0.00041723087753
                   +1 :              -0.00078485342037
                   +2 :               0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :               0.00024374758077
                   +0 :              -0.00021313934191
                   +1 :               0.00024504126512
                   +2 :              -0.00026276290625
                6p
                   -1 :              -0.00012778319443
                   +0 :               0.00003382027162
                   +1 :              -0.00017010959079
                4f
                   -3 :               0.00079793906296
                   -2 :               0.00013547449566
                   -1 :               0.00031870171345
                   +0 :              -0.00039878989582
                   +1 :              -0.00011857979787
                   +2 :               0.00004026880667
                   +3 :               0.00012638213085
             15 vec=     3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :              -0.00036492192273
                   +0 :              -0.00008543656121
                   +1 :               0.00017124346051
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :              -0.00003664864474
                   +0 :              -0.00041723087753
                   +1 :               0.00078485342037
                   +2 :              -0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :               0.00024374758077
                   +0 :               0.00021313934191
                   +1 :              -0.00024504126512
                   +2 :               0.00026276290625
                6p
                   -1 :              -0.00012778319443
                   +0 :              -0.00003382027162
                   +1 :               0.00017010959079
                4f
                   -3 :               0.00079793906296
                   -2 :               0.00013547449566
                   -1 :               0.00031870171345
                   +0 :               0.00039878989582
                   +1 :               0.00011857979787
                   +2 :              -0.00004026880667
                   +3 :              -0.00012638213085
             16 vec=    10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :              -0.00022150219670
                   +0 :               0.00004878771964
                   +1 :               0.00060602430530
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :               0.00003042142902
                   +0 :              -0.00007847895243
                   +1 :               0.00007884119212
                   +2 :               0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :               0.00007536848171
                   +1 :              -0.00008222869696
                   +2 :              -0.00015884517770
                6p
                   -1 :               0.00008919085440
                   +0 :              -0.00004746958958
                   +1 :              -0.00021877242616
                4f
                   -3 :              -0.00015081759063
                   -2 :               0.00007205089713
                   -1 :               0.00005642192822
                   +0 :               0.00013448557196
                   +1 :               0.00010418987561
                   +2 :               0.00008962319643
                   +3 :              -0.00040392243216
             17 vec=    10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :              -0.00022150219670
                   +0 :              -0.00004878771964
                   +1 :              -0.00060602430530
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :               0.00003042142902
                   +0 :               0.00007847895243
                   +1 :              -0.00007884119212
                   +2 :              -0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :              -0.00006984265278
                   +0 :              -0.00007536848171
                   +1 :               0.00008222869696
                   +2 :               0.00015884517770
                6p
                   -1 :               0.00008919085440
                   +0 :               0.00004746958958
                   +1 :               0.00021877242616
                4f
                   -3 :              -0.00015081759063
                   -2 :               0.00007205089713
                   -1 :               0.00005642192822
                   +0 :              -0.00013448557196
                   +1 :              -0.00010418987561
                   +2 :              -0.00008962319643
                   +3 :               0.00040392243216
             18 vec=    -7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :              -0.00015071243216
                   +0 :              -0.00017725308646
                   +1 :              -0.00022216113973
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :               0.00058209000798
                   +1 :              -0.00022471179411
                   +2 :              -0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :              -0.00015767359678
                   +1 :              -0.00011480792132
                   +2 :              -0.00006142552179
                6p
                   -1 :               0.00004372398918
                   +0 :               0.00019441966167
                   +1 :               0.00008952325320
                4f
                   -3 :              -0.00011589640300
                   -2 :              -0.00012390387366
                   -1 :               0.00006014367620
                   +0 :               0.00027945386608
                   +1 :              -0.00010550679987
                   +2 :              -0.00007940382059
                   +3 :               0.00002411871341
             19 vec=    -7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :              -0.00015071243216
                   +0 :               0.00017725308646
                   +1 :               0.00022216113973
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :              -0.00058209000798
                   +1 :               0.00022471179411
                   +2 :               0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :               0.00015767359678
                   +1 :               0.00011480792132
                   +2 :               0.00006142552179
                6p
                   -1 :               0.00004372398918
                   +0 :              -0.00019441966167
                   +1 :              -0.00008952325320
                4f
                   -3 :              -0.00011589640300
                   -2 :              -0.00012390387366
                   -1 :               0.00006014367620
                   +0 :              -0.00027945386608
                   +1 :               0.00010550679987
                   +2 :               0.00007940382059
                   +3 :              -0.00002411871341
             20 vec=     7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :              -0.00015071243216
                   +0 :              -0.00017725308646
                   +1 :               0.00022216113973
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :               0.00058209000798
                   +1 :               0.00022471179411
                   +2 :              -0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :              -0.00015767359678
                   +1 :               0.00011480792132
                   +2 :              -0.00006142552179
                6p
                   -1 :               0.00004372398918
                   +0 :               0.00019441966167
                   +1 :              -0.00008952325320
                4f
                   -3 :              -0.00011589640300
                   -2 :               0.00012390387366
                   -1 :               0.00006014367620
                   +0 :               0.00027945386608
                   +1 :               0.00010550679987
                   +2 :              -0.00007940382059
                   +3 :              -0.00002411871341
             21 vec=     7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :              -0.00015071243216
                   +0 :               0.00017725308646
                   +1 :              -0.00022216113973
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :              -0.00012874318718
                   +0 :              -0.00058209000798
                   +1 :              -0.00022471179411
                   +2 :               0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :              -0.00000927835155
                   +0 :               0.00015767359678
                   +1 :              -0.00011480792132
                   +2 :               0.00006142552179
                6p
                   -1 :               0.00004372398918
                   +0 :              -0.00019441966167
                   +1 :               0.00008952325320
                4f
                   -3 :              -0.00011589640300
                   -2 :               0.00012390387366
                   -1 :               0.00006014367620
                   +0 :              -0.00027945386608
                   +1 :              -0.00010550679987
                   +2 :               0.00007940382059
                   +3 :               0.00002411871341
             22 vec=   -10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :              -0.00016811232457
                   +0 :              -0.00002687112350
                   +1 :              -0.00017016962435
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :               0.00001375607359
                   +1 :              -0.00004697108333
                   +2 :              -0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :               0.00007452822599
                   +1 :              -0.00001446137177
                   +2 :              -0.00000886563555
                6p
                   -1 :               0.00002835816229
                   +0 :              -0.00001834237304
                   +1 :               0.00009083336208
                4f
                   -3 :               0.00000158870205
                   -2 :              -0.00003644920625
                   -1 :               0.00001028658818
                   +0 :               0.00005012668599
                   +1 :               0.00001500107424
                   +2 :              -0.00005650957846
                   +3 :              -0.00000408282027
             23 vec=   -10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :              -0.00016811232457
                   +0 :               0.00002687112350
                   +1 :               0.00017016962435
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :              -0.00001375607359
                   +1 :               0.00004697108333
                   +2 :               0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :              -0.00007452822599
                   +1 :               0.00001446137177
                   +2 :               0.00000886563555
                6p
                   -1 :               0.00002835816229
                   +0 :               0.00001834237304
                   +1 :              -0.00009083336208
                4f
                   -3 :               0.00000158870205
                   -2 :              -0.00003644920625
                   -1 :               0.00001028658818
                   +0 :              -0.00005012668599
                   +1 :              -0.00001500107424
                   +2 :               0.00005650957846
                   +3 :               0.00000408282027
             24 vec=    10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :              -0.00016811232457
                   +0 :              -0.00002687112350
                   +1 :               0.00017016962435
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :               0.00001375607359
                   +1 :               0.00004697108333
                   +2 :              -0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :               0.00007452822599
                   +1 :               0.00001446137177
                   +2 :              -0.00000886563555
                6p
                   -1 :               0.00002835816229
                   +0 :              -0.00001834237304
                   +1 :              -0.00009083336208
                4f
                   -3 :               0.00000158870205
                   -2 :               0.00003644920625
                   -1 :               0.00001028658818
                   +0 :               0.00005012668599
                   +1 :              -0.00001500107424
                   +2 :              -0.00005650957846
                   +3 :               0.00000408282027
             25 vec=    10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :              -0.00016811232457
                   +0 :               0.00002687112350
                   +1 :              -0.00017016962435
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :              -0.00016969676760
                   +0 :              -0.00001375607359
                   +1 :              -0.00004697108333
                   +2 :               0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :              -0.00001360298741
                   +0 :              -0.00007452822599
                   +1 :              -0.00001446137177
                   +2 :               0.00000886563555
                6p
                   -1 :               0.00002835816229
                   +0 :               0.00001834237304
                   +1 :               0.00009083336208
                4f
                   -3 :               0.00000158870205
                   -2 :               0.00003644920625
                   -1 :               0.00001028658818
                   +0 :              -0.00005012668599
                   +1 :               0.00001500107424
                   +2 :               0.00005650957846
                   +3 :              -0.00000408282027
             26 vec=     0.000000      0.000000     16.023305   |vec|=   16.023305
                5p
                   -1 :              -0.00015403445011
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00014019334219
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00025909537148
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00011419839182
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000072643082
                   -2 :               0.00000000000000
                   -1 :              -0.00009235675385
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             27 vec=   -14.292755      0.000000     -9.013109   |vec|=   16.897307
                5p
                   -1 :              -0.00002029642101
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00001748751090
                   -1 :               0.00001555784503
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000090517243
                   -1 :              -0.00001951388532
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000103881662
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00003426841897
                   -2 :               0.00001376698050
                   -1 :               0.00000811986389
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             28 vec=     0.000000    -14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00011964639592
                5p
                   -1 :               0.00000062859138
                   +0 :               0.00011037552913
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00018801100992
                7s
                   +0 :              -0.00001413652691
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00019549229930
                   +0 :               0.00004741540862
                   +1 :               0.00000000000000
                   +2 :              -0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00009050444473
                   +0 :               0.00003353515715
                   +1 :              -0.00000000000000
                   +2 :               0.00004031389134
                6p
                   -1 :              -0.00004442995287
                   +0 :              -0.00006899066649
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00012233642772
                   -1 :              -0.00010161769856
                   +0 :               0.00011912160505
                   +1 :              -0.00000000000000
                   +2 :              -0.00012184888737
                   +3 :              -0.00000000000000
             29 vec=     0.000000     14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00011964639592
                5p
                   -1 :               0.00000062859138
                   +0 :              -0.00011037552913
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00018801100992
                7s
                   +0 :               0.00001413652691
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00019549229930
                   +0 :              -0.00004741540862
                   +1 :              -0.00000000000000
                   +2 :               0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00009050444473
                   +0 :              -0.00003353515715
                   +1 :              -0.00000000000000
                   +2 :              -0.00004031389134
                6p
                   -1 :              -0.00004442995287
                   +0 :               0.00006899066649
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00012233642772
                   -2 :               0.00000000000000
                   -1 :              -0.00010161769856
                   +0 :              -0.00011912160505
                   +1 :               0.00000000000000
                   +2 :               0.00012184888737
                   +3 :              -0.00000000000000
             30 vec=    14.292755      0.000000     -9.013109   |vec|=   16.897307
                5p
                   -1 :              -0.00002029642101
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00001748751090
                   -1 :               0.00001555784503
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000090517243
                   -1 :              -0.00001951388532
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000103881662
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00003426841897
                   -2 :              -0.00001376698050
                   -1 :               0.00000811986389
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             31 vec=    -7.146377      0.000000     16.023305   |vec|=   17.544715
                5p
                   -1 :              -0.00001179349420
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00002531427750
                   -1 :              -0.00007553117190
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000946074812
                   -1 :               0.00004315178993
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00002339214795
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000735074585
                   -2 :              -0.00001983062578
                   -1 :               0.00000935794871
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             32 vec=     0.000000     -7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00024364432209
                5p
                   -1 :              -0.00018193738811
                   +0 :               0.00017743878609
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00026664776583
                7s
                   +0 :               0.00005237234326
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00002289194563
                   +0 :               0.00019236679373
                   +1 :              -0.00000000000000
                   +2 :               0.00015658988557
                6d
                   -1 :               0.00014254131253
                   +0 :              -0.00007061146374
                   +2 :               0.00002934444292
                6p
                   -1 :               0.00006224639916
                   +0 :              -0.00007944559001
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00000248135807
                   -2 :              -0.00000000000000
                   -1 :              -0.00005182317248
                   +0 :              -0.00006090103581
                   +1 :               0.00000000000000
                   +2 :              -0.00010746244125
                   +3 :              -0.00000000000000
             33 vec=     0.000000      7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00024364432209
                5p
                   -1 :              -0.00018193738811
                   +0 :              -0.00017743878609
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00026664776583
                7s
                   +0 :              -0.00005237234326
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00002289194563
                   +0 :              -0.00019236679373
                   +1 :               0.00000000000000
                   +2 :              -0.00015658988557
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00014254131253
                   +0 :               0.00007061146374
                   +1 :              -0.00000000000000
                   +2 :              -0.00002934444292
                6p
                   -1 :               0.00006224639916
                   +0 :               0.00007944559001
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000248135807
                   -2 :              -0.00000000000000
                   -1 :              -0.00005182317248
                   +0 :               0.00006090103581
                   +1 :              -0.00000000000000
                   +2 :               0.00010746244125
                   +3 :               0.00000000000000
             34 vec=     7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00001179349420
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00002531427750
                   -1 :              -0.00007553117190
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000946074812
                   -1 :               0.00004315178993
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00002339214795
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00000735074585
                   -2 :               0.00001983062578
                   -1 :               0.00000935794871
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site Cu(  3)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3p
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.99617301877050
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.01072916641205
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                3p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00005675183415
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00010447893428
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00069147699398
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00509110101092
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00222850736068
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.01163783776400
                   +1 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00069147699398
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00509110101092
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00222850736068
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.01163783776400
                   +1 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                3p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00005675183415
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00010447893428
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00013899399786
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00010777054221
                   +0 :               0.00000000000000
                   +1 :               0.00052394206229
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00003445817065
                   +0 :              -0.00000000000000
                   +1 :               0.00015546936038
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00045883720041
                   +1 :              -0.00000000000000
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00013899399786
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00010777054221
                   +0 :               0.00000000000000
                   +1 :              -0.00052394206229
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00003445817065
                   +0 :              -0.00000000000000
                   +1 :              -0.00015546936038
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00045883720041
                   +1 :               0.00000000000000
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00013899399786
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00010777054221
                   +0 :              -0.00000000000000
                   +1 :              -0.00052394206229
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00003445817065
                   +1 :              -0.00015546936038
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00045883720041
                   +1 :              -0.00000000000000
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00013899399786
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00010777054221
                   +0 :              -0.00000000000000
                   +1 :               0.00052394206229
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00003445817065
                   +0 :              -0.00000000000000
                   +1 :               0.00015546936038
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00045883720041
                   +1 :               0.00000000000000
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :              -0.00008958330180
                   +0 :              -0.00006403194999
                   +1 :              -0.00002754507454
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :              -0.00007828957558
                   +1 :              -0.00006441029683
                   +2 :              -0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :               0.00000980743582
                   +0 :              -0.00000681739613
                   +1 :              -0.00000858627072
                   +2 :              -0.00002065907955
                4p
                   -1 :               0.00020457605638
                   +0 :               0.00017000373201
                   +1 :               0.00007703067121
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :               0.00008958330180
                   +0 :              -0.00006403194999
                   +1 :               0.00002754507454
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :               0.00007828957558
                   +1 :              -0.00006441029683
                   +2 :               0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :               0.00000980743582
                   +0 :               0.00000681739613
                   +1 :              -0.00000858627072
                   +2 :               0.00002065907955
                4p
                   -1 :              -0.00020457605638
                   +0 :               0.00017000373201
                   +1 :              -0.00007703067121
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :              -0.00008958330180
                   +0 :               0.00006403194999
                   +1 :               0.00002754507454
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :               0.00007828957558
                   +1 :               0.00006441029683
                   +2 :               0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :               0.00000980743582
                   +0 :               0.00000681739613
                   +1 :               0.00000858627072
                   +2 :               0.00002065907955
                4p
                   -1 :               0.00020457605638
                   +0 :              -0.00017000373201
                   +1 :              -0.00007703067121
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :               0.00008958330180
                   +0 :               0.00006403194999
                   +1 :              -0.00002754507454
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :              -0.00007828957558
                   +1 :               0.00006441029683
                   +2 :              -0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :               0.00000980743582
                   +0 :              -0.00000681739613
                   +1 :               0.00000858627072
                   +2 :              -0.00002065907955
                4p
                   -1 :              -0.00020457605638
                   +0 :              -0.00017000373201
                   +1 :               0.00007703067121
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :              -0.00008958330180
                   +0 :              -0.00006403194999
                   +1 :               0.00002754507454
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :              -0.00007828957558
                   +1 :               0.00006441029683
                   +2 :              -0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :               0.00000980743582
                   +0 :              -0.00000681739613
                   +1 :               0.00000858627072
                   +2 :              -0.00002065907955
                4p
                   -1 :               0.00020457605638
                   +0 :               0.00017000373201
                   +1 :              -0.00007703067121
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :               0.00008958330180
                   +0 :              -0.00006403194999
                   +1 :              -0.00002754507454
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :               0.00007828957558
                   +1 :               0.00006441029683
                   +2 :               0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :               0.00000980743582
                   +0 :               0.00000681739613
                   +1 :               0.00000858627072
                   +2 :               0.00002065907955
                4p
                   -1 :              -0.00020457605638
                   +0 :               0.00017000373201
                   +1 :               0.00007703067121
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :              -0.00008958330180
                   +0 :               0.00006403194999
                   +1 :              -0.00002754507454
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :               0.00007828957558
                   +1 :              -0.00006441029683
                   +2 :               0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :               0.00000980743582
                   +0 :               0.00000681739613
                   +1 :              -0.00000858627072
                   +2 :               0.00002065907955
                4p
                   -1 :               0.00020457605638
                   +0 :              -0.00017000373201
                   +1 :               0.00007703067121
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :               0.00008958330180
                   +0 :               0.00006403194999
                   +1 :               0.00002754507454
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :              -0.00035630086399
                   +0 :              -0.00007828957558
                   +1 :              -0.00006441029683
                   +2 :              -0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :               0.00000980743582
                   +0 :              -0.00000681739613
                   +1 :              -0.00000858627072
                   +2 :              -0.00002065907955
                4p
                   -1 :              -0.00020457605638
                   +0 :              -0.00017000373201
                   +1 :              -0.00007703067121
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                3p
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002562264681
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00004615544213
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000795845256
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00051144275449
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001463754297
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00044547711844
                   +1 :              -0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000795845256
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00051144275449
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001463754297
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00044547711844
                   +1 :               0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                3p
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002562264681
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00004615544213
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00000000000000
                3p
                   +0 :              -0.00000991770997
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001537655593
                   +1 :              -0.00008419868768
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001776637475
                   +1 :               0.00000486486878
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00003871358898
                   +1 :              -0.00000000000000
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000991770997
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001537655593
                   +0 :              -0.00000000000000
                   +1 :               0.00008419868768
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00001776637475
                   +1 :              -0.00000486486878
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00003871358898
                   +1 :               0.00000000000000
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000052128047
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003038419460
                   +0 :               0.00000000000000
                   +1 :              -0.00012861350454
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003302352709
                   +0 :              -0.00000000000000
                   +1 :               0.00001999722337
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00006229686849
                   +1 :              -0.00000000000000
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000052128047
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -1 :              -0.00003038419460
                   +0 :              -0.00000000000000
                   +1 :               0.00012861350454
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00003302352709
                   +0 :              -0.00000000000000
                   +1 :              -0.00001999722337
                   +2 :               0.00000000000000
                4p
                   +0 :              -0.00006229686849
                   +1 :               0.00000000000000
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000052128047
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003038419460
                   +0 :               0.00000000000000
                   +1 :               0.00012861350454
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00003302352709
                   +0 :               0.00000000000000
                   +1 :              -0.00001999722337
                   +2 :               0.00000000000000
                4p
                   +0 :               0.00006229686849
                   +1 :              -0.00000000000000
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000052128047
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00003038419460
                   +0 :               0.00000000000000
                   +1 :              -0.00012861350454
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00003302352709
                   +0 :               0.00000000000000
                   +1 :               0.00001999722337
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006229686849
                   +1 :               0.00000000000000
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000991770997
                   +1 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001537655593
                   +0 :               0.00000000000000
                   +1 :               0.00008419868768
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00001776637475
                   +0 :              -0.00000000000000
                   +1 :              -0.00000486486878
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00003871358898
                   +1 :              -0.00000000000000
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000991770997
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001537655593
                   +0 :              -0.00000000000000
                   +1 :              -0.00008419868768
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001776637475
                   +0 :               0.00000000000000
                   +1 :               0.00000486486878
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00003871358898
                   +1 :               0.00000000000000
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :               0.00000252679140
                   +0 :              -0.00000231971774
                   +1 :              -0.00001352470105
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :               0.00000976689347
                   +0 :              -0.00000934656863
                   +1 :              -0.00000041721409
                   +2 :               0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :               0.00001120552854
                   +0 :               0.00000141091475
                   +1 :               0.00001103619081
                   +2 :              -0.00000252702028
                4p
                   -1 :               0.00000045737036
                   +0 :               0.00000166176689
                   +1 :               0.00000304303939
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :              -0.00000252679140
                   +0 :              -0.00000231971774
                   +1 :               0.00001352470105
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :               0.00000976689347
                   +0 :               0.00000934656863
                   +1 :              -0.00000041721409
                   +2 :              -0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :               0.00001120552854
                   +0 :              -0.00000141091475
                   +1 :               0.00001103619081
                   +2 :               0.00000252702028
                4p
                   -1 :              -0.00000045737036
                   +0 :               0.00000166176689
                   +1 :              -0.00000304303939
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :               0.00000252679140
                   +0 :               0.00000231971774
                   +1 :               0.00001352470105
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :               0.00000976689347
                   +0 :               0.00000934656863
                   +1 :               0.00000041721409
                   +2 :              -0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :               0.00001120552854
                   +0 :              -0.00000141091475
                   +1 :              -0.00001103619081
                   +2 :               0.00000252702028
                4p
                   -1 :               0.00000045737036
                   +0 :              -0.00000166176689
                   +1 :              -0.00000304303939
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :              -0.00000252679140
                   +0 :               0.00000231971774
                   +1 :              -0.00001352470105
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :               0.00000976689347
                   +0 :              -0.00000934656863
                   +1 :               0.00000041721409
                   +2 :               0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :               0.00001120552854
                   +0 :               0.00000141091475
                   +1 :              -0.00001103619081
                   +2 :              -0.00000252702028
                4p
                   -1 :              -0.00000045737036
                   +0 :              -0.00000166176689
                   +1 :               0.00000304303939
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :              -0.00000274391774
                   +0 :              -0.00001177226772
                   +1 :               0.00000487247455
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :               0.00001029792823
                   +1 :              -0.00000603092334
                   +2 :              -0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :              -0.00000632123595
                   +1 :              -0.00000055333463
                   +2 :               0.00000075526436
                4p
                   -1 :               0.00002092625745
                   +0 :               0.00004753242741
                   +1 :               0.00001734252947
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :               0.00000274391774
                   +0 :              -0.00001177226772
                   +1 :              -0.00000487247455
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :              -0.00001029792823
                   +1 :              -0.00000603092334
                   +2 :               0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :               0.00000632123595
                   +1 :              -0.00000055333463
                   +2 :              -0.00000075526436
                4p
                   -1 :              -0.00002092625745
                   +0 :               0.00004753242741
                   +1 :              -0.00001734252947
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :              -0.00000274391774
                   +0 :               0.00001177226772
                   +1 :              -0.00000487247455
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :              -0.00001029792823
                   +1 :               0.00000603092334
                   +2 :               0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :               0.00000632123595
                   +1 :               0.00000055333463
                   +2 :              -0.00000075526436
                4p
                   -1 :               0.00002092625745
                   +0 :              -0.00004753242741
                   +1 :              -0.00001734252947
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :               0.00000274391774
                   +0 :               0.00001177226772
                   +1 :               0.00000487247455
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :               0.00001029792823
                   +1 :               0.00000603092334
                   +2 :              -0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :              -0.00000632123595
                   +1 :               0.00000055333463
                   +2 :               0.00000075526436
                4p
                   -1 :              -0.00002092625745
                   +0 :              -0.00004753242741
                   +1 :               0.00001734252947
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :              -0.00000274391774
                   +0 :              -0.00001177226772
                   +1 :              -0.00000487247455
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :               0.00001029792823
                   +1 :               0.00000603092334
                   +2 :              -0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :              -0.00000632123595
                   +1 :               0.00000055333463
                   +2 :               0.00000075526436
                4p
                   -1 :               0.00002092625745
                   +0 :               0.00004753242741
                   +1 :              -0.00001734252947
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :               0.00000274391774
                   +0 :              -0.00001177226772
                   +1 :               0.00000487247455
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :              -0.00001029792823
                   +1 :               0.00000603092334
                   +2 :               0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :               0.00000632123595
                   +1 :               0.00000055333463
                   +2 :              -0.00000075526436
                4p
                   -1 :              -0.00002092625745
                   +0 :               0.00004753242741
                   +1 :               0.00001734252947
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :              -0.00000274391774
                   +0 :               0.00001177226772
                   +1 :               0.00000487247455
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :              -0.00001029792823
                   +1 :              -0.00000603092334
                   +2 :               0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :               0.00000632123595
                   +1 :              -0.00000055333463
                   +2 :              -0.00000075526436
                4p
                   -1 :               0.00002092625745
                   +0 :              -0.00004753242741
                   +1 :               0.00001734252947
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :               0.00000274391774
                   +0 :               0.00001177226772
                   +1 :              -0.00000487247455
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :              -0.00002653766887
                   +0 :               0.00001029792823
                   +1 :              -0.00000603092334
                   +2 :              -0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :              -0.00002238603840
                   +0 :              -0.00000632123595
                   +1 :              -0.00000055333463
                   +2 :               0.00000075526436
                4p
                   -1 :              -0.00002092625745
                   +0 :              -0.00004753242741
                   +1 :              -0.00001734252947
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :               0.00000252679140
                   +0 :              -0.00000231971774
                   +1 :               0.00001352470105
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :               0.00000976689347
                   +0 :              -0.00000934656863
                   +1 :               0.00000041721409
                   +2 :               0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :               0.00001120552854
                   +0 :               0.00000141091475
                   +1 :              -0.00001103619081
                   +2 :              -0.00000252702028
                4p
                   -1 :               0.00000045737036
                   +0 :               0.00000166176689
                   +1 :              -0.00000304303939
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :              -0.00000252679140
                   +0 :              -0.00000231971774
                   +1 :              -0.00001352470105
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :               0.00000976689347
                   +0 :               0.00000934656863
                   +1 :               0.00000041721409
                   +2 :              -0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :               0.00001120552854
                   +0 :              -0.00000141091475
                   +1 :              -0.00001103619081
                   +2 :               0.00000252702028
                4p
                   -1 :              -0.00000045737036
                   +0 :               0.00000166176689
                   +1 :               0.00000304303939
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :               0.00000252679140
                   +0 :               0.00000231971774
                   +1 :              -0.00001352470105
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :               0.00000976689347
                   +0 :               0.00000934656863
                   +1 :              -0.00000041721409
                   +2 :              -0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :               0.00001120552854
                   +0 :              -0.00000141091475
                   +1 :               0.00001103619081
                   +2 :               0.00000252702028
                4p
                   -1 :               0.00000045737036
                   +0 :              -0.00000166176689
                   +1 :               0.00000304303939
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :              -0.00000252679140
                   +0 :               0.00000231971774
                   +1 :               0.00001352470105
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :               0.00000976689347
                   +0 :              -0.00000934656863
                   +1 :              -0.00000041721409
                   +2 :               0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :               0.00001120552854
                   +0 :               0.00000141091475
                   +1 :               0.00001103619081
                   +2 :              -0.00000252702028
                4p
                   -1 :              -0.00000045737036
                   +0 :              -0.00000166176689
                   +1 :              -0.00000304303939
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site O (  4)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02877103038574
                   +1 :              -0.00000000000000
                3p
                   +0 :              -0.00798826140686
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00869641635092
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.02877103038574
                   +1 :               0.00000000000000
                3p
                   +0 :               0.00798826140686
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00869641635092
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00252586188284
                   +1 :              -0.00000000000000
                3p
                   +0 :               0.00114098499513
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001903793498
                   +1 :              -0.00016904614061
                   +2 :              -0.00000000000000
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00252586188284
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00114098499513
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001903793498
                   +1 :               0.00016904614061
                   +2 :               0.00000000000000
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00252586188284
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00114098499513
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001903793498
                   +0 :              -0.00000000000000
                   +1 :               0.00016904614061
                   +2 :               0.00000000000000
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00252586188284
                   +1 :               0.00000000000000
                3p
                   +0 :              -0.00114098499513
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001903793498
                   +0 :              -0.00000000000000
                   +1 :              -0.00016904614061
                   +2 :              -0.00000000000000
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00201344813813
                   +1 :              -0.00000000000000
                3p
                   +0 :               0.00051666254346
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00019472229094
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00201344813813
                   +1 :               0.00000000000000
                3p
                   +0 :              -0.00051666254346
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00019472229094
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00046377307516
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00033791009115
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001100482911
                   +1 :              -0.00005490516871
                   +2 :              -0.00000000000000
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00046377307516
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00033791009115
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001100482911
                   +0 :               0.00000000000000
                   +1 :               0.00005490516871
                   +2 :              -0.00000000000000
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00046377307516
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00033791009115
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001100482911
                   +0 :              -0.00000000000000
                   +1 :               0.00005490516871
                   +2 :              -0.00000000000000
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00046377307516
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00033791009115
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001100482911
                   +1 :              -0.00005490516871
                   +2 :              -0.00000000000000
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                2p
                   -1 :               0.00056798998589
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00022490823359
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00001162789276
                   -1 :               0.00000496254481
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00056798998589
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00022490823359
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00001162789276
                   -1 :               0.00000496254481
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00056798998589
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00022490823359
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00001162789276
                   -1 :               0.00000496254481
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00056798998589
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00022490823359
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00001162789276
                   -1 :               0.00000496254481
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00016298480442
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00012776491910
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001142815390
                   +1 :              -0.00002085364897
                   +2 :              -0.00000000000000
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00016298480442
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012776491910
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001142815390
                   +0 :              -0.00000000000000
                   +1 :               0.00002085364897
                   +2 :               0.00000000000000
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00016298480442
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00012776491910
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001142815390
                   +0 :              -0.00000000000000
                   +1 :               0.00002085364897
                   +2 :               0.00000000000000
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00016298480442
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00012776491910
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001142815390
                   +0 :              -0.00000000000000
                   +1 :              -0.00002085364897
                   +2 :              -0.00000000000000
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :               0.00012406269345
                   +0 :               0.00000328588639
                   +1 :               0.00028680986330
                3p
                   -1 :              -0.00004518976558
                   +0 :               0.00010893365678
                   +1 :              -0.00000371061247
                3d
                   -2 :              -0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :              -0.00000257676662
                   +1 :              -0.00001746845681
                   +2 :              -0.00000124516352
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :              -0.00012406269345
                   +0 :               0.00000328588639
                   +1 :              -0.00028680986330
                3p
                   -1 :               0.00004518976558
                   +0 :               0.00010893365678
                   +1 :               0.00000371061247
                3d
                   -2 :               0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :               0.00000257676662
                   +1 :              -0.00001746845681
                   +2 :               0.00000124516352
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :               0.00012406269345
                   +0 :              -0.00000328588639
                   +1 :              -0.00028680986330
                3p
                   -1 :              -0.00004518976558
                   +0 :              -0.00010893365678
                   +1 :               0.00000371061247
                3d
                   -2 :              -0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :               0.00000257676662
                   +1 :               0.00001746845681
                   +2 :               0.00000124516352
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :              -0.00012406269345
                   +0 :              -0.00000328588639
                   +1 :               0.00028680986330
                3p
                   -1 :               0.00004518976558
                   +0 :              -0.00010893365678
                   +1 :              -0.00000371061247
                3d
                   -2 :               0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :              -0.00000257676662
                   +1 :               0.00001746845681
                   +2 :              -0.00000124516352
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :               0.00012406269345
                   +0 :               0.00000328588639
                   +1 :              -0.00028680986330
                3p
                   -1 :              -0.00004518976558
                   +0 :               0.00010893365678
                   +1 :               0.00000371061247
                3d
                   -2 :               0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :              -0.00000257676662
                   +1 :               0.00001746845681
                   +2 :              -0.00000124516352
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :              -0.00012406269345
                   +0 :               0.00000328588639
                   +1 :               0.00028680986330
                3p
                   -1 :               0.00004518976558
                   +0 :               0.00010893365678
                   +1 :              -0.00000371061247
                3d
                   -2 :              -0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :               0.00000257676662
                   +1 :               0.00001746845681
                   +2 :               0.00000124516352
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :               0.00012406269345
                   +0 :              -0.00000328588639
                   +1 :               0.00028680986330
                3p
                   -1 :              -0.00004518976558
                   +0 :              -0.00010893365678
                   +1 :              -0.00000371061247
                3d
                   -2 :               0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :               0.00000257676662
                   +1 :              -0.00001746845681
                   +2 :               0.00000124516352
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :              -0.00012406269345
                   +0 :              -0.00000328588639
                   +1 :              -0.00028680986330
                3p
                   -1 :               0.00004518976558
                   +0 :              -0.00010893365678
                   +1 :               0.00000371061247
                3d
                   -2 :              -0.00000561160895
                   -1 :              -0.00000798859990
                   +0 :              -0.00000257676662
                   +1 :              -0.00001746845681
                   +2 :              -0.00000124516352
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00005078905595
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000430318225
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000621204346
                   -1 :               0.00000558096149
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00005078905595
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000430318225
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000621204346
                   -1 :               0.00000558096149
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00005078905595
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000430318225
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000621204346
                   -1 :               0.00000558096149
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00005078905595
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000430318225
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000621204346
                   -1 :               0.00000558096149
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00002556767628
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00005886536987
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000373729248
                   +0 :              -0.00000000000000
                   +1 :              -0.00001415701717
                   +2 :              -0.00000000000000
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00002556767628
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00005886536987
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000373729248
                   +0 :               0.00000000000000
                   +1 :               0.00001415701717
                   +2 :               0.00000000000000
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00018043157083
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006951579037
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000536175544
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00018043157083
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00006951579037
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000536175544
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00002556767628
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00005886536987
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000373729248
                   +0 :              -0.00000000000000
                   +1 :               0.00001415701717
                   +2 :               0.00000000000000
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00002556767628
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00005886536987
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000373729248
                   +0 :               0.00000000000000
                   +1 :              -0.00001415701717
                   +2 :              -0.00000000000000
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :              -0.00001578676663
                   +0 :               0.00004726215319
                   +1 :              -0.00002956145719
                3p
                   -1 :              -0.00001131776436
                   +0 :               0.00004216546047
                   +1 :               0.00005204578505
                3d
                   -2 :               0.00000040707073
                   -1 :               0.00000133254904
                   +0 :              -0.00000433777546
                   +1 :              -0.00001718270431
                   +2 :              -0.00000503261830
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :               0.00001578676663
                   +0 :               0.00004726215319
                   +1 :               0.00002956145719
                3p
                   -1 :               0.00001131776436
                   +0 :               0.00004216546047
                   +1 :              -0.00005204578505
                3d
                   -2 :              -0.00000040707073
                   -1 :               0.00000133254904
                   +0 :               0.00000433777546
                   +1 :              -0.00001718270431
                   +2 :               0.00000503261830
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :              -0.00001578676663
                   +0 :              -0.00004726215319
                   +1 :               0.00002956145719
                3p
                   -1 :              -0.00001131776436
                   +0 :              -0.00004216546047
                   +1 :              -0.00005204578505
                3d
                   -2 :               0.00000040707073
                   -1 :               0.00000133254904
                   +0 :               0.00000433777546
                   +1 :               0.00001718270431
                   +2 :               0.00000503261830
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :               0.00001578676663
                   +0 :              -0.00004726215319
                   +1 :              -0.00002956145719
                3p
                   -1 :               0.00001131776436
                   +0 :              -0.00004216546047
                   +1 :               0.00005204578505
                3d
                   -2 :              -0.00000040707073
                   -1 :               0.00000133254904
                   +0 :              -0.00000433777546
                   +1 :               0.00001718270431
                   +2 :              -0.00000503261830
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :              -0.00001578676663
                   +0 :               0.00004726215319
                   +1 :               0.00002956145719
                3p
                   -1 :              -0.00001131776436
                   +0 :               0.00004216546047
                   +1 :              -0.00005204578505
                3d
                   -2 :              -0.00000040707073
                   -1 :               0.00000133254904
                   +0 :              -0.00000433777546
                   +1 :               0.00001718270431
                   +2 :              -0.00000503261830
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :               0.00001578676663
                   +0 :               0.00004726215319
                   +1 :              -0.00002956145719
                3p
                   -1 :               0.00001131776436
                   +0 :               0.00004216546047
                   +1 :               0.00005204578505
                3d
                   -2 :               0.00000040707073
                   -1 :               0.00000133254904
                   +0 :               0.00000433777546
                   +1 :               0.00001718270431
                   +2 :               0.00000503261830
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :              -0.00001578676663
                   +0 :              -0.00004726215319
                   +1 :              -0.00002956145719
                3p
                   -1 :              -0.00001131776436
                   +0 :              -0.00004216546047
                   +1 :               0.00005204578505
                3d
                   -2 :              -0.00000040707073
                   -1 :               0.00000133254904
                   +0 :               0.00000433777546
                   +1 :              -0.00001718270431
                   +2 :               0.00000503261830
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :               0.00001578676663
                   +0 :              -0.00004726215319
                   +1 :               0.00002956145719
                3p
                   -1 :               0.00001131776436
                   +0 :              -0.00004216546047
                   +1 :              -0.00005204578505
                3d
                   -2 :               0.00000040707073
                   -1 :               0.00000133254904
                   +0 :              -0.00000433777546
                   +1 :              -0.00001718270431
                   +2 :              -0.00000503261830
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site O (  5)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00166143445240
                   +1 :              -0.00000000000000
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00166143445240
                   +1 :              -0.00000000000000
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :              -0.00343175037627
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00171688388163
                   +1 :              -0.00000000000000
                3d
                   -1 :              -0.00010428690293
                   +0 :               0.00000000000000
                   +1 :               0.00028199369001
                   +2 :              -0.00000000000000
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00343175037627
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00171688388163
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00010428690293
                   +1 :              -0.00028199369001
                   +2 :               0.00000000000000
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :              -0.00343175037627
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00171688388163
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00010428690293
                   +1 :              -0.00028199369001
                   +2 :               0.00000000000000
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00343175037627
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00171688388163
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00010428690293
                   +0 :              -0.00000000000000
                   +1 :               0.00028199369001
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001236372163
                   +1 :              -0.00000000000000
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001236372163
                   +1 :              -0.00000000000000
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00029460532576
                   +1 :              -0.00000000000000
                3p
                   +0 :               0.00005587021397
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000960927186
                   +0 :              -0.00000000000000
                   +1 :              -0.00000947000738
                   +2 :              -0.00000000000000
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00029460532576
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00005587021397
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000960927186
                   +0 :               0.00000000000000
                   +1 :               0.00000947000738
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00029460532576
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00005587021397
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000960927186
                   +0 :               0.00000000000000
                   +1 :               0.00000947000738
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00029460532576
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00005587021397
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000960927186
                   +0 :              -0.00000000000000
                   +1 :              -0.00000947000738
                   +2 :              -0.00000000000000
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00004954123160
                2s
                   +0 :               0.00082030342578
                3s
                   +0 :              -0.00043929563457
                2p
                   -1 :              -0.00181571899129
                   +0 :              -0.00101032768561
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00108250281844
                   +0 :               0.00052150583414
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012882174129
                   +0 :               0.00000551075415
                   +1 :               0.00000000000000
                   +2 :               0.00005477696764
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00004954123160
                2s
                   +0 :              -0.00082030342578
                3s
                   +0 :               0.00043929563457
                2p
                   -1 :               0.00181571899129
                   +0 :              -0.00101032768561
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00108250281844
                   +0 :               0.00052150583414
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00012882174129
                   +0 :              -0.00000551075415
                   +1 :              -0.00000000000000
                   +2 :              -0.00005477696764
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00004954123160
                2s
                   +0 :              -0.00082030342578
                3s
                   +0 :               0.00043929563457
                2p
                   -1 :              -0.00181571899129
                   +0 :               0.00101032768561
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00108250281844
                   +0 :              -0.00052150583414
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00012882174129
                   +0 :              -0.00000551075415
                   +1 :              -0.00000000000000
                   +2 :              -0.00005477696764
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00004954123160
                2s
                   +0 :               0.00082030342578
                3s
                   +0 :              -0.00043929563457
                2p
                   -1 :               0.00181571899129
                   +0 :               0.00101032768561
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00108250281844
                   +0 :              -0.00052150583414
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012882174129
                   +0 :               0.00000551075415
                   +1 :               0.00000000000000
                   +2 :               0.00005477696764
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00041412661597
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00024914644355
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002574462540
                   +1 :              -0.00000916848136
                   +2 :              -0.00000000000000
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                2p
                   +0 :              -0.00041412661597
                   +1 :               0.00000000000000
                3p
                   +0 :               0.00024914644355
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002574462540
                   +1 :               0.00000916848136
                   +2 :               0.00000000000000
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00041412661597
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00024914644355
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002574462540
                   +1 :               0.00000916848136
                   +2 :               0.00000000000000
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00041412661597
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00024914644355
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002574462540
                   +1 :              -0.00000916848136
                   +2 :              -0.00000000000000
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :              -0.00000151149746
                   +0 :              -0.00003337086536
                   +1 :               0.00008850856614
                3p
                   -1 :               0.00007616456683
                   +0 :               0.00005860776145
                   +1 :              -0.00003667913165
                3d
                   -2 :               0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :              -0.00000001583368
                   +1 :               0.00000217705278
                   +2 :               0.00000649327046
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :               0.00000151149746
                   +0 :              -0.00003337086536
                   +1 :              -0.00008850856614
                3p
                   -1 :              -0.00007616456683
                   +0 :               0.00005860776145
                   +1 :               0.00003667913165
                3d
                   -2 :              -0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :               0.00000001583368
                   +1 :               0.00000217705278
                   +2 :              -0.00000649327046
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :              -0.00000151149746
                   +0 :               0.00003337086536
                   +1 :              -0.00008850856614
                3p
                   -1 :               0.00007616456683
                   +0 :              -0.00005860776145
                   +1 :               0.00003667913165
                3d
                   -2 :               0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :               0.00000001583368
                   +1 :              -0.00000217705278
                   +2 :              -0.00000649327046
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :               0.00000151149746
                   +0 :               0.00003337086536
                   +1 :               0.00008850856614
                3p
                   -1 :              -0.00007616456683
                   +0 :              -0.00005860776145
                   +1 :              -0.00003667913165
                3d
                   -2 :              -0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :              -0.00000001583368
                   +1 :              -0.00000217705278
                   +2 :               0.00000649327046
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :              -0.00000151149746
                   +0 :              -0.00003337086536
                   +1 :              -0.00008850856614
                3p
                   -1 :               0.00007616456683
                   +0 :               0.00005860776145
                   +1 :               0.00003667913165
                3d
                   -2 :              -0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :              -0.00000001583368
                   +1 :              -0.00000217705278
                   +2 :               0.00000649327046
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :               0.00000151149746
                   +0 :              -0.00003337086536
                   +1 :               0.00008850856614
                3p
                   -1 :              -0.00007616456683
                   +0 :               0.00005860776145
                   +1 :              -0.00003667913165
                3d
                   -2 :               0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :               0.00000001583368
                   +1 :              -0.00000217705278
                   +2 :              -0.00000649327046
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :              -0.00000151149746
                   +0 :               0.00003337086536
                   +1 :               0.00008850856614
                3p
                   -1 :               0.00007616456683
                   +0 :              -0.00005860776145
                   +1 :              -0.00003667913165
                3d
                   -2 :              -0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :               0.00000001583368
                   +1 :               0.00000217705278
                   +2 :              -0.00000649327046
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :               0.00000151149746
                   +0 :               0.00003337086536
                   +1 :              -0.00008850856614
                3p
                   -1 :              -0.00007616456683
                   +0 :              -0.00005860776145
                   +1 :               0.00003667913165
                3d
                   -2 :               0.00000046010992
                   -1 :              -0.00001907215843
                   +0 :              -0.00000001583368
                   +1 :               0.00000217705278
                   +2 :               0.00000649327046
             29 vec=    -0.000000    -10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000570691391
                2s
                   +0 :               0.00004466354430
                3s
                   +0 :              -0.00002631190824
                2p
                   -1 :               0.00022737697451
                   +0 :              -0.00012489992599
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00004672406701
                   +0 :              -0.00000735548755
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000110342730
                   +0 :               0.00001310404848
                   +1 :               0.00000000000000
                   +2 :               0.00001061444001
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000570691391
                2s
                   +0 :              -0.00004466354430
                3s
                   +0 :               0.00002631190824
                2p
                   -1 :              -0.00022737697451
                   +0 :              -0.00012489992599
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00004672406701
                   +0 :              -0.00000735548755
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000110342730
                   +0 :              -0.00001310404848
                   +1 :              -0.00000000000000
                   +2 :              -0.00001061444001
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000570691391
                2s
                   +0 :              -0.00004466354430
                3s
                   +0 :               0.00002631190824
                2p
                   -1 :               0.00022737697451
                   +0 :               0.00012489992599
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00004672406701
                   +0 :               0.00000735548755
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000110342730
                   +0 :              -0.00001310404848
                   +1 :              -0.00000000000000
                   +2 :              -0.00001061444001
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000570691391
                2s
                   +0 :               0.00004466354430
                3s
                   +0 :              -0.00002631190824
                2p
                   -1 :              -0.00022737697451
                   +0 :               0.00012489992599
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00004672406701
                   +0 :               0.00000735548755
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000110342730
                   +0 :               0.00001310404848
                   +1 :               0.00000000000000
                   +2 :               0.00001061444001
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000319185061
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00002522146717
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00004824376448
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001238908162
                   +0 :              -0.00000000000000
                   +1 :               0.00000379184545
                   +2 :              -0.00000000000000
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00002522146717
                   +1 :               0.00000000000000
                3p
                   +0 :              -0.00004824376448
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001238908162
                   +0 :              -0.00000000000000
                   +1 :              -0.00000379184545
                   +2 :               0.00000000000000
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00002522146717
                   +1 :              -0.00000000000000
                3p
                   +0 :               0.00004824376448
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001238908162
                   +0 :              -0.00000000000000
                   +1 :              -0.00000379184545
                   +2 :               0.00000000000000
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00002522146717
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00004824376448
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001238908162
                   +0 :              -0.00000000000000
                   +1 :               0.00000379184545
                   +2 :              -0.00000000000000
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000319185061
                   +1 :              -0.00000000000000
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :              -0.00000350407114
                   +0 :               0.00006074800626
                   +1 :               0.00000843156165
                3p
                   -1 :               0.00000830940262
                   +0 :              -0.00001091075770
                   +1 :              -0.00000362163777
                3d
                   -2 :               0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :               0.00000353537492
                   +1 :               0.00000169930368
                   +2 :               0.00000243558259
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :               0.00000350407114
                   +0 :               0.00006074800626
                   +1 :              -0.00000843156165
                3p
                   -1 :              -0.00000830940262
                   +0 :              -0.00001091075770
                   +1 :               0.00000362163777
                3d
                   -2 :              -0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :              -0.00000353537492
                   +1 :               0.00000169930368
                   +2 :              -0.00000243558259
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :              -0.00000350407114
                   +0 :              -0.00006074800626
                   +1 :              -0.00000843156165
                3p
                   -1 :               0.00000830940262
                   +0 :               0.00001091075770
                   +1 :               0.00000362163777
                3d
                   -2 :               0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :              -0.00000353537492
                   +1 :              -0.00000169930368
                   +2 :              -0.00000243558259
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :               0.00000350407114
                   +0 :              -0.00006074800626
                   +1 :               0.00000843156165
                3p
                   -1 :              -0.00000830940262
                   +0 :               0.00001091075770
                   +1 :              -0.00000362163777
                3d
                   -2 :              -0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :               0.00000353537492
                   +1 :              -0.00000169930368
                   +2 :               0.00000243558259
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :              -0.00000350407114
                   +0 :               0.00006074800626
                   +1 :              -0.00000843156165
                3p
                   -1 :               0.00000830940262
                   +0 :              -0.00001091075770
                   +1 :               0.00000362163777
                3d
                   -2 :              -0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :               0.00000353537492
                   +1 :              -0.00000169930368
                   +2 :               0.00000243558259
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :               0.00000350407114
                   +0 :               0.00006074800626
                   +1 :               0.00000843156165
                3p
                   -1 :              -0.00000830940262
                   +0 :              -0.00001091075770
                   +1 :              -0.00000362163777
                3d
                   -2 :               0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :              -0.00000353537492
                   +1 :              -0.00000169930368
                   +2 :              -0.00000243558259
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :              -0.00000350407114
                   +0 :              -0.00006074800626
                   +1 :               0.00000843156165
                3p
                   -1 :               0.00000830940262
                   +0 :               0.00001091075770
                   +1 :              -0.00000362163777
                3d
                   -2 :              -0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :              -0.00000353537492
                   +1 :               0.00000169930368
                   +2 :              -0.00000243558259
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :               0.00000350407114
                   +0 :              -0.00006074800626
                   +1 :              -0.00000843156165
                3p
                   -1 :              -0.00000830940262
                   +0 :               0.00001091075770
                   +1 :               0.00000362163777
                3d
                   -2 :               0.00000135414077
                   -1 :              -0.00000687678660
                   +0 :               0.00000353537492
                   +1 :               0.00000169930368
                   +2 :               0.00000243558259
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site O (  6)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                2p
                   -1 :              -0.01210229212996
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00096571677933
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00263877788443
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00436150378703
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00172425831399
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00012732516285
                   -1 :              -0.00002655601996
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00031831908348
                2s
                   +0 :               0.00572269249476
                3s
                   +0 :              -0.00072914936612
                2p
                   -1 :              -0.00295490253700
                   +0 :               0.00499061844772
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00032591067398
                   +0 :              -0.00004130636881
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00041789910454
                   +0 :               0.00023848352225
                   +1 :               0.00000000000000
                   +2 :              -0.00047723897780
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00031831908348
                2s
                   +0 :              -0.00572269249476
                3s
                   +0 :               0.00072914936612
                2p
                   -1 :              -0.00295490253700
                   +0 :              -0.00499061844772
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00032591067398
                   +0 :               0.00004130636881
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00041789910454
                   +0 :              -0.00023848352225
                   +1 :               0.00000000000000
                   +2 :               0.00047723897780
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00436150378703
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00172425831399
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00012732516285
                   -1 :              -0.00002655601996
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :               0.00254636796056
                   +0 :               0.00097907682576
                   +1 :               0.00095670554884
                3p
                   -1 :              -0.00067236830730
                   +0 :              -0.00055779273754
                   +1 :              -0.00014646910742
                3d
                   -2 :              -0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :               0.00019580592031
                   +1 :              -0.00000664945220
                   +2 :              -0.00003927235869
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :               0.00254636796056
                   +0 :              -0.00097907682576
                   +1 :              -0.00095670554884
                3p
                   -1 :              -0.00067236830730
                   +0 :               0.00055779273754
                   +1 :               0.00014646910742
                3d
                   -2 :              -0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :              -0.00019580592031
                   +1 :               0.00000664945220
                   +2 :               0.00003927235869
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :               0.00254636796056
                   +0 :               0.00097907682576
                   +1 :              -0.00095670554884
                3p
                   -1 :              -0.00067236830730
                   +0 :              -0.00055779273754
                   +1 :               0.00014646910742
                3d
                   -2 :               0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :               0.00019580592031
                   +1 :               0.00000664945220
                   +2 :              -0.00003927235869
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :               0.00254636796056
                   +0 :              -0.00097907682576
                   +1 :               0.00095670554884
                3p
                   -1 :              -0.00067236830730
                   +0 :               0.00055779273754
                   +1 :              -0.00014646910742
                3d
                   -2 :               0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :              -0.00019580592031
                   +1 :              -0.00000664945220
                   +2 :               0.00003927235869
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :               0.00134563338180
                   +0 :              -0.00037303134330
                   +1 :               0.00291329933204
                3p
                   -1 :              -0.00097785640967
                   +0 :              -0.00005752704296
                   +1 :              -0.00109507980589
                3d
                   -2 :               0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :              -0.00005081522397
                   +1 :               0.00000016511125
                   +2 :              -0.00009087858057
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :               0.00134563338180
                   +0 :               0.00037303134330
                   +1 :              -0.00291329933204
                3p
                   -1 :              -0.00097785640967
                   +0 :               0.00005752704296
                   +1 :               0.00109507980589
                3d
                   -2 :               0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :               0.00005081522397
                   +1 :              -0.00000016511125
                   +2 :               0.00009087858057
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :               0.00134563338180
                   +0 :              -0.00037303134330
                   +1 :              -0.00291329933204
                3p
                   -1 :              -0.00097785640967
                   +0 :              -0.00005752704296
                   +1 :               0.00109507980589
                3d
                   -2 :              -0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :              -0.00005081522397
                   +1 :              -0.00000016511125
                   +2 :              -0.00009087858057
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :               0.00134563338180
                   +0 :               0.00037303134330
                   +1 :               0.00291329933204
                3p
                   -1 :              -0.00097785640967
                   +0 :               0.00005752704296
                   +1 :              -0.00109507980589
                3d
                   -2 :              -0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :               0.00005081522397
                   +1 :               0.00000016511125
                   +2 :               0.00009087858057
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :               0.00003370020279
                   +0 :              -0.00005199372992
                   +1 :              -0.00002985627079
                3p
                   -1 :              -0.00004621017269
                   +0 :              -0.00005379532533
                   +1 :               0.00001878416438
                3d
                   -2 :               0.00000798136210
                   -1 :               0.00000777318884
                   +0 :              -0.00000137293097
                   +1 :               0.00000126612632
                   +2 :              -0.00000069917970
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :               0.00003370020279
                   +0 :               0.00005199372992
                   +1 :               0.00002985627079
                3p
                   -1 :              -0.00004621017269
                   +0 :               0.00005379532533
                   +1 :              -0.00001878416438
                3d
                   -2 :               0.00000798136210
                   -1 :               0.00000777318884
                   +0 :               0.00000137293097
                   +1 :              -0.00000126612632
                   +2 :               0.00000069917970
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :              -0.00015745153007
                   +0 :               0.00036107550496
                   +1 :               0.00030237011468
                3p
                   -1 :               0.00015405399893
                   +0 :              -0.00015691723924
                   +1 :              -0.00005075449381
                3d
                   -2 :              -0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :               0.00003211247649
                   +1 :              -0.00001166608604
                   +2 :               0.00001468687212
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :              -0.00015745153007
                   +0 :              -0.00036107550496
                   +1 :              -0.00030237011468
                3p
                   -1 :               0.00015405399893
                   +0 :               0.00015691723924
                   +1 :               0.00005075449381
                3d
                   -2 :              -0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :              -0.00003211247649
                   +1 :               0.00001166608604
                   +2 :              -0.00001468687212
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :              -0.00015745153007
                   +0 :               0.00036107550496
                   +1 :              -0.00030237011468
                3p
                   -1 :               0.00015405399893
                   +0 :              -0.00015691723924
                   +1 :               0.00005075449381
                3d
                   -2 :               0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :               0.00003211247649
                   +1 :               0.00001166608604
                   +2 :               0.00001468687212
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :              -0.00015745153007
                   +0 :              -0.00036107550496
                   +1 :               0.00030237011468
                3p
                   -1 :               0.00015405399893
                   +0 :               0.00015691723924
                   +1 :              -0.00005075449381
                3d
                   -2 :               0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :              -0.00003211247649
                   +1 :              -0.00001166608604
                   +2 :              -0.00001468687212
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :               0.00003370020279
                   +0 :              -0.00005199372992
                   +1 :               0.00002985627079
                3p
                   -1 :              -0.00004621017269
                   +0 :              -0.00005379532533
                   +1 :              -0.00001878416438
                3d
                   -2 :              -0.00000798136210
                   -1 :               0.00000777318884
                   +0 :              -0.00000137293097
                   +1 :              -0.00000126612632
                   +2 :              -0.00000069917970
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :               0.00003370020279
                   +0 :               0.00005199372992
                   +1 :              -0.00002985627079
                3p
                   -1 :              -0.00004621017269
                   +0 :               0.00005379532533
                   +1 :               0.00001878416438
                3d
                   -2 :              -0.00000798136210
                   -1 :               0.00000777318884
                   +0 :               0.00000137293097
                   +1 :               0.00000126612632
                   +2 :               0.00000069917970
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00008811083611
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00005395638867
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000459461894
                   -1 :               0.00000666928357
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000972545023
                2s
                   +0 :              -0.00023742613426
                3s
                   +0 :              -0.00002053890876
                2p
                   -1 :              -0.00001171053407
                   +0 :              -0.00051042863824
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00004248134051
                   +0 :               0.00015362605975
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000597638609
                   +0 :              -0.00001855862915
                   +1 :              -0.00000000000000
                   +2 :               0.00000951609212
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000972545023
                2s
                   +0 :               0.00023742613426
                3s
                   +0 :               0.00002053890876
                2p
                   -1 :              -0.00001171053407
                   +0 :               0.00051042863824
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00004248134051
                   +0 :              -0.00015362605975
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000597638609
                   +0 :               0.00001855862915
                   +1 :              -0.00000000000000
                   +2 :              -0.00000951609212
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00008811083611
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00005395638867
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000459461894
                   -1 :               0.00000666928357
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :              -0.00010467192948
                   +0 :               0.00005447853472
                   +1 :              -0.00001572275631
                3p
                   -1 :               0.00014497664322
                   +0 :              -0.00002589237575
                   +1 :               0.00012496977025
                3d
                   -2 :              -0.00002708650395
                   -1 :               0.00001054034536
                   +0 :               0.00001614412756
                   +1 :               0.00001020774369
                   +2 :               0.00000053364838
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :              -0.00010467192948
                   +0 :              -0.00005447853472
                   +1 :               0.00001572275631
                3p
                   -1 :               0.00014497664322
                   +0 :               0.00002589237575
                   +1 :              -0.00012496977025
                3d
                   -2 :              -0.00002708650395
                   -1 :               0.00001054034536
                   +0 :              -0.00001614412756
                   +1 :              -0.00001020774369
                   +2 :              -0.00000053364838
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :              -0.00014521104460
                   +0 :               0.00010435825854
                   +1 :              -0.00000440361287
                3p
                   -1 :               0.00009948335925
                   +0 :               0.00000464482388
                   +1 :               0.00002738211395
                3d
                   -2 :              -0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :               0.00000617068823
                   +1 :              -0.00000251005885
                   +2 :               0.00001350112908
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :              -0.00014521104460
                   +0 :              -0.00010435825854
                   +1 :               0.00000440361287
                3p
                   -1 :               0.00009948335925
                   +0 :              -0.00000464482388
                   +1 :              -0.00002738211395
                3d
                   -2 :              -0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :              -0.00000617068823
                   +1 :               0.00000251005885
                   +2 :              -0.00001350112908
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :              -0.00014521104460
                   +0 :               0.00010435825854
                   +1 :               0.00000440361287
                3p
                   -1 :               0.00009948335925
                   +0 :               0.00000464482388
                   +1 :              -0.00002738211395
                3d
                   -2 :               0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :               0.00000617068823
                   +1 :               0.00000251005885
                   +2 :               0.00001350112908
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :              -0.00014521104460
                   +0 :              -0.00010435825854
                   +1 :              -0.00000440361287
                3p
                   -1 :               0.00009948335925
                   +0 :              -0.00000464482388
                   +1 :               0.00002738211395
                3d
                   -2 :               0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :              -0.00000617068823
                   +1 :              -0.00000251005885
                   +2 :              -0.00001350112908
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :              -0.00010467192948
                   +0 :               0.00005447853472
                   +1 :               0.00001572275631
                3p
                   -1 :               0.00014497664322
                   +0 :              -0.00002589237575
                   +1 :              -0.00012496977025
                3d
                   -2 :               0.00002708650395
                   -1 :               0.00001054034536
                   +0 :               0.00001614412756
                   +1 :              -0.00001020774369
                   +2 :               0.00000053364838
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :              -0.00010467192948
                   +0 :              -0.00005447853472
                   +1 :              -0.00001572275631
                3p
                   -1 :               0.00014497664322
                   +0 :               0.00002589237575
                   +1 :               0.00012496977025
                3d
                   -2 :               0.00002708650395
                   -1 :               0.00001054034536
                   +0 :              -0.00001614412756
                   +1 :               0.00001020774369
                   +2 :              -0.00000053364838
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :              -0.00001288447515
                   +0 :              -0.00008573483257
                   +1 :               0.00002074128764
                3p
                   -1 :              -0.00004992825909
                   +0 :              -0.00000545178866
                   +1 :              -0.00005333659882
                3d
                   -2 :               0.00001250356149
                   -1 :               0.00000832204452
                   +0 :              -0.00000843789544
                   +1 :               0.00000592629745
                   +2 :               0.00000682777031
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :              -0.00001288447515
                   +0 :               0.00008573483257
                   +1 :              -0.00002074128764
                3p
                   -1 :              -0.00004992825909
                   +0 :               0.00000545178866
                   +1 :               0.00005333659882
                3d
                   -2 :               0.00001250356149
                   -1 :               0.00000832204452
                   +0 :               0.00000843789544
                   +1 :              -0.00000592629745
                   +2 :              -0.00000682777031
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :              -0.00001288447515
                   +0 :              -0.00008573483257
                   +1 :              -0.00002074128764
                3p
                   -1 :              -0.00004992825909
                   +0 :              -0.00000545178866
                   +1 :               0.00005333659882
                3d
                   -2 :              -0.00001250356149
                   -1 :               0.00000832204452
                   +0 :              -0.00000843789544
                   +1 :              -0.00000592629745
                   +2 :               0.00000682777031
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :              -0.00001288447515
                   +0 :               0.00008573483257
                   +1 :               0.00002074128764
                3p
                   -1 :              -0.00004992825909
                   +0 :               0.00000545178866
                   +1 :              -0.00005333659882
                3d
                   -2 :              -0.00001250356149
                   -1 :               0.00000832204452
                   +0 :               0.00000843789544
                   +1 :               0.00000592629745
                   +2 :              -0.00000682777031
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :               0.00001937968293
                   +0 :               0.00002612748910
                   +1 :               0.00002289122144
                3p
                   -1 :               0.00000049117020
                   +0 :              -0.00000914602095
                   +1 :               0.00002174280252
                3d
                   -2 :              -0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :               0.00000081761692
                   +1 :               0.00000176031420
                   +2 :              -0.00000430508487
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :               0.00001937968293
                   +0 :              -0.00002612748910
                   +1 :              -0.00002289122144
                3p
                   -1 :               0.00000049117020
                   +0 :               0.00000914602095
                   +1 :              -0.00002174280252
                3d
                   -2 :              -0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :              -0.00000081761692
                   +1 :              -0.00000176031420
                   +2 :               0.00000430508487
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :               0.00001937968293
                   +0 :               0.00002612748910
                   +1 :              -0.00002289122144
                3p
                   -1 :               0.00000049117020
                   +0 :              -0.00000914602095
                   +1 :              -0.00002174280252
                3d
                   -2 :               0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :               0.00000081761692
                   +1 :              -0.00000176031420
                   +2 :              -0.00000430508487
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :               0.00001937968293
                   +0 :              -0.00002612748910
                   +1 :               0.00002289122144
                3p
                   -1 :               0.00000049117020
                   +0 :               0.00000914602095
                   +1 :               0.00002174280252
                3d
                   -2 :               0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :              -0.00000081761692
                   +1 :               0.00000176031420
                   +2 :               0.00000430508487
WF             site_B          number of pairs
WF(  2)=[Cu 3d-1]  to site O (  7)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                2p
                   -1 :               0.01210229212996
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00096571677933
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00263877788443
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00436150378703
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00172425831399
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00012732516285
                   -1 :              -0.00002655601996
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00031831908348
                2s
                   +0 :              -0.00572269249476
                3s
                   +0 :               0.00072914936612
                2p
                   -1 :               0.00295490253700
                   +0 :               0.00499061844772
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00032591067398
                   +0 :              -0.00004130636881
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00041789910454
                   +0 :              -0.00023848352225
                   +1 :               0.00000000000000
                   +2 :               0.00047723897780
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00031831908348
                2s
                   +0 :               0.00572269249476
                3s
                   +0 :              -0.00072914936612
                2p
                   -1 :               0.00295490253700
                   +0 :              -0.00499061844772
                3p
                   -1 :               0.00032591067398
                   +0 :               0.00004130636881
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00041789910454
                   +0 :               0.00023848352225
                   +1 :               0.00000000000000
                   +2 :              -0.00047723897780
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                2p
                   -1 :              -0.00436150378703
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00172425831399
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00012732516285
                   -1 :              -0.00002655601996
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :              -0.00254636796056
                   +0 :               0.00097907682576
                   +1 :              -0.00095670554884
                3p
                   -1 :               0.00067236830730
                   +0 :              -0.00055779273754
                   +1 :               0.00014646910742
                3d
                   -2 :               0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :              -0.00019580592031
                   +1 :              -0.00000664945220
                   +2 :               0.00003927235869
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :              -0.00254636796056
                   +0 :              -0.00097907682576
                   +1 :               0.00095670554884
                3p
                   -1 :               0.00067236830730
                   +0 :               0.00055779273754
                   +1 :              -0.00014646910742
                3d
                   -2 :               0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :               0.00019580592031
                   +1 :               0.00000664945220
                   +2 :              -0.00003927235869
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :              -0.00254636796056
                   +0 :               0.00097907682576
                   +1 :               0.00095670554884
                3p
                   -1 :               0.00067236830730
                   +0 :              -0.00055779273754
                   +1 :              -0.00014646910742
                3d
                   -2 :              -0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :              -0.00019580592031
                   +1 :               0.00000664945220
                   +2 :               0.00003927235869
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :              -0.00254636796056
                   +0 :              -0.00097907682576
                   +1 :              -0.00095670554884
                3p
                   -1 :               0.00067236830730
                   +0 :               0.00055779273754
                   +1 :               0.00014646910742
                3d
                   -2 :              -0.00001957157013
                   -1 :              -0.00005146987440
                   +0 :               0.00019580592031
                   +1 :              -0.00000664945220
                   +2 :              -0.00003927235869
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :              -0.00134563338180
                   +0 :              -0.00037303134330
                   +1 :              -0.00291329933204
                3p
                   -1 :               0.00097785640967
                   +0 :              -0.00005752704296
                   +1 :               0.00109507980589
                3d
                   -2 :              -0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :               0.00005081522397
                   +1 :               0.00000016511125
                   +2 :               0.00009087858057
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :              -0.00134563338180
                   +0 :               0.00037303134330
                   +1 :               0.00291329933204
                3p
                   -1 :               0.00097785640967
                   +0 :               0.00005752704296
                   +1 :              -0.00109507980589
                3d
                   -2 :              -0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :              -0.00005081522397
                   +1 :              -0.00000016511125
                   +2 :              -0.00009087858057
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :              -0.00134563338180
                   +0 :              -0.00037303134330
                   +1 :               0.00291329933204
                3p
                   -1 :               0.00097785640967
                   +0 :              -0.00005752704296
                   +1 :              -0.00109507980589
                3d
                   -2 :               0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :               0.00005081522397
                   +1 :              -0.00000016511125
                   +2 :               0.00009087858057
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :              -0.00134563338180
                   +0 :               0.00037303134330
                   +1 :              -0.00291329933204
                3p
                   -1 :               0.00097785640967
                   +0 :               0.00005752704296
                   +1 :               0.00109507980589
                3d
                   -2 :               0.00010211153047
                   -1 :              -0.00003811336500
                   +0 :              -0.00005081522397
                   +1 :               0.00000016511125
                   +2 :              -0.00009087858057
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :              -0.00003370020279
                   +0 :              -0.00005199372992
                   +1 :               0.00002985627079
                3p
                   -1 :               0.00004621017269
                   +0 :              -0.00005379532533
                   +1 :              -0.00001878416438
                3d
                   -2 :              -0.00000798136210
                   -1 :               0.00000777318884
                   +0 :               0.00000137293097
                   +1 :               0.00000126612632
                   +2 :               0.00000069917970
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :              -0.00003370020279
                   +0 :               0.00005199372992
                   +1 :              -0.00002985627079
                3p
                   -1 :               0.00004621017269
                   +0 :               0.00005379532533
                   +1 :               0.00001878416438
                3d
                   -2 :              -0.00000798136210
                   -1 :               0.00000777318884
                   +0 :              -0.00000137293097
                   +1 :              -0.00000126612632
                   +2 :              -0.00000069917970
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :               0.00015745153007
                   +0 :               0.00036107550496
                   +1 :              -0.00030237011468
                3p
                   -1 :              -0.00015405399893
                   +0 :              -0.00015691723924
                   +1 :               0.00005075449381
                3d
                   -2 :               0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :              -0.00003211247649
                   +1 :              -0.00001166608604
                   +2 :              -0.00001468687212
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :               0.00015745153007
                   +0 :              -0.00036107550496
                   +1 :               0.00030237011468
                3p
                   -1 :              -0.00015405399893
                   +0 :               0.00015691723924
                   +1 :              -0.00005075449381
                3d
                   -2 :               0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :               0.00003211247649
                   +1 :               0.00001166608604
                   +2 :               0.00001468687212
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :               0.00015745153007
                   +0 :               0.00036107550496
                   +1 :               0.00030237011468
                3p
                   -1 :              -0.00015405399893
                   +0 :              -0.00015691723924
                   +1 :              -0.00005075449381
                3d
                   -2 :              -0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :              -0.00003211247649
                   +1 :               0.00001166608604
                   +2 :              -0.00001468687212
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :               0.00015745153007
                   +0 :              -0.00036107550496
                   +1 :              -0.00030237011468
                3p
                   -1 :              -0.00015405399893
                   +0 :               0.00015691723924
                   +1 :               0.00005075449381
                3d
                   -2 :              -0.00000328934101
                   -1 :              -0.00003869119657
                   +0 :               0.00003211247649
                   +1 :              -0.00001166608604
                   +2 :               0.00001468687212
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :              -0.00003370020279
                   +0 :              -0.00005199372992
                   +1 :              -0.00002985627079
                3p
                   -1 :               0.00004621017269
                   +0 :              -0.00005379532533
                   +1 :               0.00001878416438
                3d
                   -2 :               0.00000798136210
                   -1 :               0.00000777318884
                   +0 :               0.00000137293097
                   +1 :              -0.00000126612632
                   +2 :               0.00000069917970
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :              -0.00003370020279
                   +0 :               0.00005199372992
                   +1 :               0.00002985627079
                3p
                   -1 :               0.00004621017269
                   +0 :               0.00005379532533
                   +1 :              -0.00001878416438
                3d
                   -2 :               0.00000798136210
                   -1 :               0.00000777318884
                   +0 :              -0.00000137293097
                   +1 :               0.00000126612632
                   +2 :              -0.00000069917970
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00008811083611
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00005395638867
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000459461894
                   -1 :               0.00000666928357
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000972545023
                2s
                   +0 :               0.00023742613426
                3s
                   +0 :               0.00002053890876
                2p
                   -1 :               0.00001171053407
                   +0 :              -0.00051042863824
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00004248134051
                   +0 :               0.00015362605975
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000597638609
                   +0 :               0.00001855862915
                   +1 :              -0.00000000000000
                   +2 :              -0.00000951609212
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000972545023
                2s
                   +0 :              -0.00023742613426
                3s
                   +0 :              -0.00002053890876
                2p
                   -1 :               0.00001171053407
                   +0 :               0.00051042863824
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00004248134051
                   +0 :              -0.00015362605975
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000597638609
                   +0 :              -0.00001855862915
                   +1 :              -0.00000000000000
                   +2 :               0.00000951609212
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00008811083611
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00005395638867
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000459461894
                   -1 :               0.00000666928357
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :               0.00010467192948
                   +0 :               0.00005447853472
                   +1 :               0.00001572275631
                3p
                   -1 :              -0.00014497664322
                   +0 :              -0.00002589237575
                   +1 :              -0.00012496977025
                3d
                   -2 :               0.00002708650395
                   -1 :               0.00001054034536
                   +0 :              -0.00001614412756
                   +1 :               0.00001020774369
                   +2 :              -0.00000053364838
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :               0.00010467192948
                   +0 :              -0.00005447853472
                   +1 :              -0.00001572275631
                3p
                   -1 :              -0.00014497664322
                   +0 :               0.00002589237575
                   +1 :               0.00012496977025
                3d
                   -2 :               0.00002708650395
                   -1 :               0.00001054034536
                   +0 :               0.00001614412756
                   +1 :              -0.00001020774369
                   +2 :               0.00000053364838
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :               0.00014521104460
                   +0 :               0.00010435825854
                   +1 :               0.00000440361287
                3p
                   -1 :              -0.00009948335925
                   +0 :               0.00000464482388
                   +1 :              -0.00002738211395
                3d
                   -2 :               0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :              -0.00000617068823
                   +1 :              -0.00000251005885
                   +2 :              -0.00001350112908
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :               0.00014521104460
                   +0 :              -0.00010435825854
                   +1 :              -0.00000440361287
                3p
                   -1 :              -0.00009948335925
                   +0 :              -0.00000464482388
                   +1 :               0.00002738211395
                3d
                   -2 :               0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :               0.00000617068823
                   +1 :               0.00000251005885
                   +2 :               0.00001350112908
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :               0.00014521104460
                   +0 :               0.00010435825854
                   +1 :              -0.00000440361287
                3p
                   -1 :              -0.00009948335925
                   +0 :               0.00000464482388
                   +1 :               0.00002738211395
                3d
                   -2 :              -0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :              -0.00000617068823
                   +1 :               0.00000251005885
                   +2 :              -0.00001350112908
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :               0.00014521104460
                   +0 :              -0.00010435825854
                   +1 :               0.00000440361287
                3p
                   -1 :              -0.00009948335925
                   +0 :              -0.00000464482388
                   +1 :              -0.00002738211395
                3d
                   -2 :              -0.00000664252455
                   -1 :              -0.00000175031220
                   +0 :               0.00000617068823
                   +1 :              -0.00000251005885
                   +2 :               0.00001350112908
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :               0.00010467192948
                   +0 :               0.00005447853472
                   +1 :              -0.00001572275631
                3p
                   -1 :              -0.00014497664322
                   +0 :              -0.00002589237575
                   +1 :               0.00012496977025
                3d
                   -2 :              -0.00002708650395
                   -1 :               0.00001054034536
                   +0 :              -0.00001614412756
                   +1 :              -0.00001020774369
                   +2 :              -0.00000053364838
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :               0.00010467192948
                   +0 :              -0.00005447853472
                   +1 :               0.00001572275631
                3p
                   -1 :              -0.00014497664322
                   +0 :               0.00002589237575
                   +1 :              -0.00012496977025
                3d
                   -2 :              -0.00002708650395
                   -1 :               0.00001054034536
                   +0 :               0.00001614412756
                   +1 :               0.00001020774369
                   +2 :               0.00000053364838
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :               0.00001288447515
                   +0 :              -0.00008573483257
                   +1 :              -0.00002074128764
                3p
                   -1 :               0.00004992825909
                   +0 :              -0.00000545178866
                   +1 :               0.00005333659882
                3d
                   -2 :              -0.00001250356149
                   -1 :               0.00000832204452
                   +0 :               0.00000843789544
                   +1 :               0.00000592629745
                   +2 :              -0.00000682777031
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :               0.00001288447515
                   +0 :               0.00008573483257
                   +1 :               0.00002074128764
                3p
                   -1 :               0.00004992825909
                   +0 :               0.00000545178866
                   +1 :              -0.00005333659882
                3d
                   -2 :              -0.00001250356149
                   -1 :               0.00000832204452
                   +0 :              -0.00000843789544
                   +1 :              -0.00000592629745
                   +2 :               0.00000682777031
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :               0.00001288447515
                   +0 :              -0.00008573483257
                   +1 :               0.00002074128764
                3p
                   -1 :               0.00004992825909
                   +0 :              -0.00000545178866
                   +1 :              -0.00005333659882
                3d
                   -2 :               0.00001250356149
                   -1 :               0.00000832204452
                   +0 :               0.00000843789544
                   +1 :              -0.00000592629745
                   +2 :              -0.00000682777031
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :               0.00001288447515
                   +0 :               0.00008573483257
                   +1 :              -0.00002074128764
                3p
                   -1 :               0.00004992825909
                   +0 :               0.00000545178866
                   +1 :               0.00005333659882
                3d
                   -2 :               0.00001250356149
                   -1 :               0.00000832204452
                   +0 :              -0.00000843789544
                   +1 :               0.00000592629745
                   +2 :               0.00000682777031
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :              -0.00001937968293
                   +0 :               0.00002612748910
                   +1 :              -0.00002289122144
                3p
                   -1 :              -0.00000049117020
                   +0 :              -0.00000914602095
                   +1 :              -0.00002174280252
                3d
                   -2 :               0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :              -0.00000081761692
                   +1 :               0.00000176031420
                   +2 :               0.00000430508487
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :              -0.00001937968293
                   +0 :              -0.00002612748910
                   +1 :               0.00002289122144
                3p
                   -1 :              -0.00000049117020
                   +0 :               0.00000914602095
                   +1 :               0.00002174280252
                3d
                   -2 :               0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :               0.00000081761692
                   +1 :              -0.00000176031420
                   +2 :              -0.00000430508487
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :              -0.00001937968293
                   +0 :               0.00002612748910
                   +1 :               0.00002289122144
                3p
                   -1 :              -0.00000049117020
                   +0 :              -0.00000914602095
                   +1 :               0.00002174280252
                3d
                   -2 :              -0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :              -0.00000081761692
                   +1 :              -0.00000176031420
                   +2 :               0.00000430508487
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :              -0.00001937968293
                   +0 :              -0.00002612748910
                   +1 :              -0.00002289122144
                3p
                   -1 :              -0.00000049117020
                   +0 :               0.00000914602095
                   +1 :              -0.00002174280252
                3d
                   -2 :              -0.00000339329767
                   -1 :              -0.00000324030187
                   +0 :               0.00000081761692
                   +1 :               0.00000176031420
                   +2 :              -0.00000430508487
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :               0.00593284795571
                   +0 :               0.00715642600328
                   +1 :               0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :               0.00883743850171
                   -1 :               0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :               0.00621507070451
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00102337502469
                   -1 :               0.00026738848001
                   +0 :               0.00137759334981
                   +1 :               0.00026738848001
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00182682017051
                   +0 :               0.00060597376512
                   +1 :               0.00182682017051
                4f
                   -3 :               0.00091750226306
                   -2 :               0.00591176698688
                   -1 :               0.00311660004151
                   +0 :              -0.00048550560346
                   +1 :               0.00311660004151
                   +2 :              -0.00000000000000
                   +3 :              -0.00091750226306
              2 vec=    -3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :              -0.00593284795571
                   +0 :               0.00715642600328
                   +1 :               0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :              -0.00883743850171
                   -1 :              -0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :               0.00621507070451
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00102337502469
                   -1 :              -0.00026738848001
                   +0 :               0.00137759334981
                   +1 :               0.00026738848001
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00182682017051
                   +0 :               0.00060597376512
                   +1 :               0.00182682017051
                4f
                   -3 :              -0.00091750226306
                   -2 :              -0.00591176698688
                   -1 :              -0.00311660004151
                   +0 :              -0.00048550560346
                   +1 :               0.00311660004151
                   +2 :               0.00000000000000
                   +3 :              -0.00091750226306
              3 vec=     3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :               0.00593284795571
                   +0 :               0.00715642600328
                   +1 :              -0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :              -0.00883743850171
                   -1 :               0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :              -0.00621507070451
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00102337502469
                   -1 :               0.00026738848001
                   +0 :               0.00137759334981
                   +1 :              -0.00026738848001
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00182682017051
                   +0 :               0.00060597376512
                   +1 :              -0.00182682017051
                4f
                   -3 :               0.00091750226306
                   -2 :              -0.00591176698688
                   -1 :               0.00311660004151
                   +0 :              -0.00048550560346
                   +1 :              -0.00311660004151
                   +2 :               0.00000000000000
                   +3 :               0.00091750226306
              4 vec=     3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :              -0.00593284795571
                   +0 :               0.00715642600328
                   +1 :              -0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :               0.00883743850171
                   -1 :              -0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :              -0.00621507070451
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00102337502469
                   -1 :              -0.00026738848001
                   +0 :               0.00137759334981
                   +1 :              -0.00026738848001
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00182682017051
                   +0 :               0.00060597376512
                   +1 :              -0.00182682017051
                4f
                   -3 :              -0.00091750226306
                   -2 :               0.00591176698688
                   -1 :              -0.00311660004151
                   +0 :              -0.00048550560346
                   +1 :              -0.00311660004151
                   +2 :              -0.00000000000000
                   +3 :               0.00091750226306
              5 vec=     0.000000      0.000000      9.013109   |vec|=    9.013109
                5s
                   +0 :              -0.00224988575188
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00431868811315
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00378339420686
                7s
                   +0 :              -0.00035599652351
                5d
                   -1 :               0.00000000000000
                   +0 :               0.02589883663607
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -1 :               0.00000000000000
                   +0 :               0.00073782545958
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00010534358714
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.01638535373564
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              6 vec=    -7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00047277411152
                   +1 :               0.00003800116465
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00015023152654
                   +1 :              -0.00059154041737
                   +2 :              -0.00030156302292
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00015396010559
                   +1 :               0.00028313613498
                   +2 :               0.00004715402529
                6p
                   +0 :               0.00009620635492
                   +1 :              -0.00008841534713
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00083505573280
                   +1 :               0.00089390924423
                   +2 :              -0.00017787612283
                   +3 :              -0.00040791118391
              7 vec=     0.000000     -7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :               0.00003800116465
                   +0 :               0.00047277411152
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -1 :              -0.00059154041737
                   +0 :              -0.00015023152654
                   +1 :              -0.00000000000000
                   +2 :               0.00030156302292
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00028313613498
                   +0 :              -0.00015396010559
                   +1 :              -0.00000000000000
                   +2 :              -0.00004715402529
                6p
                   -1 :              -0.00008841534713
                   +0 :               0.00009620635492
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00040791118391
                   -2 :               0.00000000000000
                   -1 :               0.00089390924423
                   +0 :               0.00083505573280
                   +1 :              -0.00000000000000
                   +2 :               0.00017787612283
                   +3 :              -0.00000000000000
              8 vec=     0.000000      7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :              -0.00003800116465
                   +0 :               0.00047277411152
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00059154041737
                   +0 :              -0.00015023152654
                   +1 :              -0.00000000000000
                   +2 :               0.00030156302292
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00028313613498
                   +0 :              -0.00015396010559
                   +1 :              -0.00000000000000
                   +2 :              -0.00004715402529
                6p
                   -1 :               0.00008841534713
                   +0 :               0.00009620635492
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00040791118391
                   -2 :               0.00000000000000
                   -1 :              -0.00089390924423
                   +0 :               0.00083505573280
                   +1 :               0.00000000000000
                   +2 :               0.00017787612283
                   +3 :               0.00000000000000
              9 vec=     7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00047277411152
                   +1 :              -0.00003800116465
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00015023152654
                   +1 :               0.00059154041737
                   +2 :              -0.00030156302292
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00015396010559
                   +1 :              -0.00028313613498
                   +2 :               0.00004715402529
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00009620635492
                   +1 :               0.00008841534713
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00083505573280
                   +1 :              -0.00089390924423
                   +2 :              -0.00017787612283
                   +3 :               0.00040791118391
             10 vec=   -10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018703291945
                   +0 :              -0.00032998654240
                   +1 :              -0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :               0.00056664608259
                   +0 :               0.00006646593842
                   +1 :              -0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :              -0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :              -0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :              -0.00001983496802
                   +0 :               0.00001830642555
                   +1 :               0.00012049155269
                4f
                   -3 :               0.00028267744573
                   -2 :               0.00030348797075
                   -1 :              -0.00002574015276
                   +0 :              -0.00008921055722
                   +1 :              -0.00022203353450
                   +2 :              -0.00009180670200
                   +3 :               0.00001689641470
             11 vec=   -10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018703291945
                   +0 :              -0.00032998654240
                   +1 :              -0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :              -0.00056664608259
                   +0 :               0.00006646593842
                   +1 :              -0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :               0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :              -0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :               0.00001983496802
                   +0 :               0.00001830642555
                   +1 :               0.00012049155269
                4f
                   -3 :              -0.00028267744573
                   -2 :              -0.00030348797075
                   -1 :               0.00002574015276
                   +0 :              -0.00008921055722
                   +1 :              -0.00022203353450
                   +2 :              -0.00009180670200
                   +3 :               0.00001689641470
             12 vec=    -3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018582911896
                   +0 :              -0.00032998654240
                   +1 :              -0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :              -0.00014498221331
                   +0 :               0.00006646593842
                   +1 :               0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :              -0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :              -0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :               0.00012049155269
                   +0 :               0.00001830642555
                   +1 :              -0.00001983496802
                4f
                   -3 :              -0.00001689641470
                   -2 :               0.00030348797075
                   -1 :              -0.00022203353450
                   +0 :              -0.00008921055722
                   +1 :              -0.00002574015276
                   +2 :               0.00009180670200
                   +3 :              -0.00028267744573
             13 vec=    -3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018582911896
                   +0 :              -0.00032998654240
                   +1 :              -0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :               0.00014498221331
                   +0 :               0.00006646593842
                   +1 :               0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :               0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :              -0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :              -0.00012049155269
                   +0 :               0.00001830642555
                   +1 :              -0.00001983496802
                4f
                   -3 :               0.00001689641470
                   -2 :              -0.00030348797075
                   -1 :               0.00022203353450
                   +0 :              -0.00008921055722
                   +1 :              -0.00002574015276
                   +2 :               0.00009180670200
                   +3 :              -0.00028267744573
             14 vec=     3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018582911896
                   +0 :              -0.00032998654240
                   +1 :               0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :              -0.00014498221331
                   +0 :               0.00006646593842
                   +1 :              -0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :              -0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :               0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :               0.00012049155269
                   +0 :               0.00001830642555
                   +1 :               0.00001983496802
                4f
                   -3 :              -0.00001689641470
                   -2 :              -0.00030348797075
                   -1 :              -0.00022203353450
                   +0 :              -0.00008921055722
                   +1 :               0.00002574015276
                   +2 :               0.00009180670200
                   +3 :               0.00028267744573
             15 vec=     3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018582911896
                   +0 :              -0.00032998654240
                   +1 :               0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :               0.00014498221331
                   +0 :               0.00006646593842
                   +1 :              -0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :               0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :               0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :              -0.00012049155269
                   +0 :               0.00001830642555
                   +1 :               0.00001983496802
                4f
                   -3 :               0.00001689641470
                   -2 :               0.00030348797075
                   -1 :               0.00022203353450
                   +0 :              -0.00008921055722
                   +1 :               0.00002574015276
                   +2 :               0.00009180670200
                   +3 :               0.00028267744573
             16 vec=    10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018703291945
                   +0 :              -0.00032998654240
                   +1 :               0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :               0.00056664608259
                   +0 :               0.00006646593842
                   +1 :               0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :              -0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :               0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :              -0.00001983496802
                   +0 :               0.00001830642555
                   +1 :              -0.00012049155269
                4f
                   -3 :               0.00028267744573
                   -2 :              -0.00030348797075
                   -1 :              -0.00002574015276
                   +0 :              -0.00008921055722
                   +1 :               0.00022203353450
                   +2 :              -0.00009180670200
                   +3 :              -0.00001689641470
             17 vec=    10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018703291945
                   +0 :              -0.00032998654240
                   +1 :               0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :              -0.00056664608259
                   +0 :               0.00006646593842
                   +1 :               0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :               0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :               0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :               0.00001983496802
                   +0 :               0.00001830642555
                   +1 :              -0.00012049155269
                4f
                   -3 :              -0.00028267744573
                   -2 :               0.00030348797075
                   -1 :               0.00002574015276
                   +0 :              -0.00008921055722
                   +1 :               0.00022203353450
                   +2 :              -0.00009180670200
                   +3 :              -0.00001689641470
             18 vec=    -7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :              -0.00017773103599
                   +0 :               0.00005478333772
                   +1 :              -0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :               0.00005447385478
                   -1 :               0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :               0.00042069859684
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002822025135
                   -1 :               0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :               0.00006682615874
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00008401836324
                   +0 :              -0.00009700239375
                   +1 :               0.00008401836324
                4f
                   -3 :               0.00005130170885
                   -2 :               0.00026806479016
                   -1 :              -0.00023760800045
                   +0 :              -0.00017470146663
                   +1 :              -0.00023760800045
                   +2 :              -0.00000000000000
                   +3 :              -0.00005130170885
             19 vec=    -7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :               0.00017773103599
                   +0 :               0.00005478333772
                   +1 :              -0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :              -0.00005447385478
                   -1 :              -0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :               0.00042069859684
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00002822025135
                   -1 :              -0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :               0.00006682615874
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00008401836324
                   +0 :              -0.00009700239375
                   +1 :               0.00008401836324
                4f
                   -3 :              -0.00005130170885
                   -2 :              -0.00026806479016
                   -1 :               0.00023760800045
                   +0 :              -0.00017470146663
                   +1 :              -0.00023760800045
                   +2 :              -0.00000000000000
                   +3 :              -0.00005130170885
             20 vec=     7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :              -0.00017773103599
                   +0 :               0.00005478333772
                   +1 :               0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :              -0.00005447385478
                   -1 :               0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :              -0.00042069859684
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00002822025135
                   -1 :               0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :              -0.00006682615874
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00008401836324
                   +0 :              -0.00009700239375
                   +1 :              -0.00008401836324
                4f
                   -3 :               0.00005130170885
                   -2 :              -0.00026806479016
                   -1 :              -0.00023760800045
                   +0 :              -0.00017470146663
                   +1 :               0.00023760800045
                   +2 :               0.00000000000000
                   +3 :               0.00005130170885
             21 vec=     7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :               0.00017773103599
                   +0 :               0.00005478333772
                   +1 :               0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :               0.00005447385478
                   -1 :              -0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :              -0.00042069859684
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002822025135
                   -1 :              -0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :              -0.00006682615874
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00008401836324
                   +0 :              -0.00009700239375
                   +1 :              -0.00008401836324
                4f
                   -3 :              -0.00005130170885
                   -2 :               0.00026806479016
                   -1 :               0.00023760800045
                   +0 :              -0.00017470146663
                   +1 :               0.00023760800045
                   +2 :               0.00000000000000
                   +3 :               0.00005130170885
             22 vec=   -10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :               0.00023460528002
                   +0 :              -0.00014045949021
                   +1 :               0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :               0.00021865836911
                   -1 :              -0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :              -0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00014156569625
                   -1 :              -0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :              -0.00004674637606
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00002156201658
                   +0 :              -0.00002823758987
                   +1 :              -0.00002156201658
                4f
                   -3 :               0.00009866381820
                   -2 :               0.00005188165534
                   -1 :              -0.00011570984115
                   +0 :               0.00004663661083
                   +1 :              -0.00011570984115
                   +2 :              -0.00000000000000
                   +3 :              -0.00009866381820
             23 vec=   -10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :              -0.00023460528002
                   +0 :              -0.00014045949021
                   +1 :               0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :              -0.00021865836911
                   -1 :               0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :              -0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00014156569625
                   -1 :               0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :              -0.00004674637606
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00002156201658
                   +0 :              -0.00002823758987
                   +1 :              -0.00002156201658
                4f
                   -3 :              -0.00009866381820
                   -2 :              -0.00005188165534
                   -1 :               0.00011570984115
                   +0 :               0.00004663661083
                   +1 :              -0.00011570984115
                   +2 :              -0.00000000000000
                   +3 :              -0.00009866381820
             24 vec=    10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :               0.00023460528002
                   +0 :              -0.00014045949021
                   +1 :              -0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :              -0.00021865836911
                   -1 :              -0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :               0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00014156569625
                   -1 :              -0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :               0.00004674637606
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00002156201658
                   +0 :              -0.00002823758987
                   +1 :               0.00002156201658
                4f
                   -3 :               0.00009866381820
                   -2 :              -0.00005188165534
                   -1 :              -0.00011570984115
                   +0 :               0.00004663661083
                   +1 :               0.00011570984115
                   +2 :              -0.00000000000000
                   +3 :               0.00009866381820
             25 vec=    10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :              -0.00023460528002
                   +0 :              -0.00014045949021
                   +1 :              -0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :               0.00021865836911
                   -1 :               0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :               0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00014156569625
                   -1 :               0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :               0.00004674637606
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00002156201658
                   +0 :              -0.00002823758987
                   +1 :               0.00002156201658
                4f
                   -3 :              -0.00009866381820
                   -2 :               0.00005188165534
                   -1 :               0.00011570984115
                   +0 :               0.00004663661083
                   +1 :               0.00011570984115
                   +2 :              -0.00000000000000
                   +3 :               0.00009866381820
             26 vec=     0.000000      0.000000    -16.023305   |vec|=   16.023305
                5s
                   +0 :               0.00041941494847
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00043920967479
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00091561627371
                7s
                   +0 :               0.00000212851484
                5d
                   -1 :              -0.00000000000000
                   +0 :               0.00272337773641
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -1 :              -0.00000000000000
                   +0 :              -0.00067233427842
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00033102460875
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00150569417234
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             27 vec=   -14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00001310546968
                   +1 :               0.00002140320459
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :               0.00000000000000
                   +0 :              -0.00014800715741
                   +1 :               0.00001370681402
                   +2 :               0.00009873112594
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004319121659
                   +1 :              -0.00002895827129
                   +2 :              -0.00002157524962
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00002339135077
                   +1 :              -0.00000117322721
                4f
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004372967427
                   +1 :              -0.00005172750882
                   +2 :              -0.00001591749846
                   +3 :               0.00005940169032
             28 vec=     0.000000    -14.292755      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :               0.00002140320459
                   +0 :              -0.00001310546968
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -1 :               0.00001370681402
                   +0 :              -0.00014800715741
                   +1 :              -0.00000000000000
                   +2 :              -0.00009873112594
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002895827129
                   +0 :               0.00004319121659
                   +1 :               0.00000000000000
                   +2 :               0.00002157524962
                6p
                   -1 :              -0.00000117322721
                   +0 :               0.00002339135077
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005940169032
                   -2 :              -0.00000000000000
                   -1 :              -0.00005172750882
                   +0 :              -0.00004372967427
                   +1 :               0.00000000000000
                   +2 :               0.00001591749846
                   +3 :               0.00000000000000
             29 vec=     0.000000     14.292755      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :              -0.00002140320459
                   +0 :              -0.00001310546968
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001370681402
                   +0 :              -0.00014800715741
                   +1 :               0.00000000000000
                   +2 :              -0.00009873112594
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00002895827129
                   +0 :               0.00004319121659
                   +1 :              -0.00000000000000
                   +2 :               0.00002157524962
                6p
                   -1 :               0.00000117322721
                   +0 :               0.00002339135077
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00005940169032
                   -2 :              -0.00000000000000
                   -1 :               0.00005172750882
                   +0 :              -0.00004372967427
                   +1 :              -0.00000000000000
                   +2 :               0.00001591749846
                   +3 :               0.00000000000000
             30 vec=    14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00001310546968
                   +1 :              -0.00002140320459
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00014800715741
                   +1 :              -0.00001370681402
                   +2 :               0.00009873112594
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004319121659
                   +1 :               0.00002895827129
                   +2 :              -0.00002157524962
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00002339135077
                   +1 :               0.00000117322721
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004372967427
                   +1 :               0.00005172750882
                   +2 :              -0.00001591749846
                   +3 :              -0.00005940169032
             31 vec=    -7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00037936475030
                   +1 :               0.00021406896039
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00041245742749
                   +1 :               0.00106430720803
                   +2 :               0.00054159412178
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004822194949
                   +1 :               0.00000401108838
                   +2 :              -0.00002698848582
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00007012127421
                   +1 :              -0.00001577231687
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002683940904
                   +1 :               0.00056387275050
                   +2 :               0.00050839718606
                   +3 :               0.00020966988745
             32 vec=     0.000000     -7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :               0.00021406896039
                   +0 :               0.00037936475030
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -1 :               0.00106430720803
                   +0 :               0.00041245742749
                   +1 :               0.00000000000000
                   +2 :              -0.00054159412178
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000401108838
                   +0 :              -0.00004822194949
                   +1 :              -0.00000000000000
                   +2 :               0.00002698848582
                6p
                   -1 :              -0.00001577231687
                   +0 :               0.00007012127421
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00020966988745
                   -2 :              -0.00000000000000
                   -1 :               0.00056387275050
                   +0 :              -0.00002683940904
                   +1 :               0.00000000000000
                   +2 :              -0.00050839718606
                   +3 :               0.00000000000000
             33 vec=     0.000000      7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :              -0.00021406896039
                   +0 :               0.00037936475030
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00106430720803
                   +0 :               0.00041245742749
                   +2 :              -0.00054159412178
                6d
                   -1 :              -0.00000401108838
                   +0 :              -0.00004822194949
                   +1 :               0.00000000000000
                   +2 :               0.00002698848582
                6p
                   -1 :               0.00001577231687
                   +0 :               0.00007012127421
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00020966988745
                   -1 :              -0.00056387275050
                   +0 :              -0.00002683940904
                   +1 :               0.00000000000000
                   +2 :              -0.00050839718606
                   +3 :              -0.00000000000000
             34 vec=     7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00037936475030
                   +1 :              -0.00021406896039
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00041245742749
                   +1 :              -0.00106430720803
                   +2 :               0.00054159412178
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004822194949
                   +1 :              -0.00000401108838
                   +2 :              -0.00002698848582
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00007012127421
                   +1 :               0.00001577231687
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   +0 :              -0.00002683940904
                   +1 :              -0.00056387275050
                   +2 :               0.00050839718606
                   +3 :              -0.00020966988745
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :               0.00593284795571
                   +0 :              -0.00715642600328
                   +1 :               0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :               0.00883743850171
                   -1 :              -0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :              -0.00621507070451
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00102337502469
                   -1 :              -0.00026738848001
                   +0 :               0.00137759334981
                   +1 :              -0.00026738848001
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00182682017051
                   +0 :              -0.00060597376512
                   +1 :               0.00182682017051
                4f
                   -3 :               0.00091750226306
                   -2 :              -0.00591176698688
                   -1 :               0.00311660004151
                   +0 :               0.00048550560346
                   +1 :               0.00311660004151
                   +2 :               0.00000000000000
                   +3 :              -0.00091750226306
              2 vec=    -3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :              -0.00593284795571
                   +0 :              -0.00715642600328
                   +1 :               0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :              -0.00883743850171
                   -1 :               0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :              -0.00621507070451
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00102337502469
                   -1 :               0.00026738848001
                   +0 :               0.00137759334981
                   +1 :              -0.00026738848001
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00182682017051
                   +0 :              -0.00060597376512
                   +1 :               0.00182682017051
                4f
                   -3 :              -0.00091750226306
                   -2 :               0.00591176698688
                   -1 :              -0.00311660004151
                   +0 :               0.00048550560346
                   +1 :               0.00311660004151
                   +2 :              -0.00000000000000
                   +3 :              -0.00091750226306
              3 vec=     3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :               0.00593284795571
                   +0 :              -0.00715642600328
                   +1 :              -0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :              -0.00883743850171
                   -1 :              -0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :               0.00621507070451
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00102337502469
                   -1 :              -0.00026738848001
                   +0 :               0.00137759334981
                   +1 :               0.00026738848001
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00182682017051
                   +0 :              -0.00060597376512
                   +1 :              -0.00182682017051
                4f
                   -3 :               0.00091750226306
                   -2 :               0.00591176698688
                   -1 :               0.00311660004151
                   +0 :               0.00048550560346
                   +1 :              -0.00311660004151
                   +2 :              -0.00000000000000
                   +3 :               0.00091750226306
              4 vec=     3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00288609283468
                5p
                   -1 :              -0.00593284795571
                   +0 :              -0.00715642600328
                   +1 :              -0.00593284795571
                6s
                   +0 :              -0.00529340541589
                7s
                   +0 :              -0.00009952136371
                5d
                   -2 :               0.00883743850171
                   -1 :               0.00621507070451
                   +0 :              -0.00196132982400
                   +1 :               0.00621507070451
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00102337502469
                   -1 :               0.00026738848001
                   +0 :               0.00137759334981
                   +1 :               0.00026738848001
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00182682017051
                   +0 :              -0.00060597376512
                   +1 :              -0.00182682017051
                4f
                   -3 :              -0.00091750226306
                   -2 :              -0.00591176698688
                   -1 :              -0.00311660004151
                   +0 :               0.00048550560346
                   +1 :              -0.00311660004151
                   +2 :               0.00000000000000
                   +3 :               0.00091750226306
              5 vec=     0.000000      0.000000     -9.013109   |vec|=    9.013109
                5s
                   +0 :              -0.00224988575188
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00431868811315
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00378339420686
                7s
                   +0 :              -0.00035599652351
                5d
                   -1 :               0.00000000000000
                   +0 :               0.02589883663607
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -1 :               0.00000000000000
                   +0 :               0.00073782545958
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00010534358714
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01638535373564
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              6 vec=    -7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00047277411152
                   +1 :               0.00003800116465
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00015023152654
                   +1 :               0.00059154041737
                   +2 :              -0.00030156302292
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00015396010559
                   +1 :              -0.00028313613498
                   +2 :               0.00004715402529
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00009620635492
                   +1 :              -0.00008841534713
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00083505573280
                   +1 :               0.00089390924423
                   +2 :               0.00017787612283
                   +3 :              -0.00040791118391
              7 vec=     0.000000     -7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :               0.00003800116465
                   +0 :              -0.00047277411152
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00059154041737
                   +0 :              -0.00015023152654
                   +1 :              -0.00000000000000
                   +2 :               0.00030156302292
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00028313613498
                   +0 :              -0.00015396010559
                   +1 :              -0.00000000000000
                   +2 :              -0.00004715402529
                6p
                   -1 :              -0.00008841534713
                   +0 :              -0.00009620635492
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00040791118391
                   -2 :              -0.00000000000000
                   -1 :               0.00089390924423
                   +0 :              -0.00083505573280
                   +1 :              -0.00000000000000
                   +2 :              -0.00017787612283
                   +3 :              -0.00000000000000
              8 vec=     0.000000      7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :              -0.00003800116465
                   +0 :              -0.00047277411152
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -1 :              -0.00059154041737
                   +0 :              -0.00015023152654
                   +1 :              -0.00000000000000
                   +2 :               0.00030156302292
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00028313613498
                   +0 :              -0.00015396010559
                   +1 :              -0.00000000000000
                   +2 :              -0.00004715402529
                6p
                   -1 :               0.00008841534713
                   +0 :              -0.00009620635492
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00040791118391
                   -2 :              -0.00000000000000
                   -1 :              -0.00089390924423
                   +0 :              -0.00083505573280
                   +1 :               0.00000000000000
                   +2 :              -0.00017787612283
                   +3 :               0.00000000000000
              9 vec=     7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00008763017201
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00047277411152
                   +1 :              -0.00003800116465
                6s
                   +0 :              -0.00010472659030
                7s
                   +0 :               0.00013067899710
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00015023152654
                   +1 :              -0.00059154041737
                   +2 :              -0.00030156302292
                6d
                   -1 :              -0.00000000000000
                   +0 :              -0.00015396010559
                   +1 :               0.00028313613498
                   +2 :               0.00004715402529
                6p
                   +0 :              -0.00009620635492
                   +1 :               0.00008841534713
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00083505573280
                   +1 :              -0.00089390924423
                   +2 :               0.00017787612283
                   +3 :               0.00040791118391
             10 vec=   -10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018703291945
                   +0 :               0.00032998654240
                   +1 :              -0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :              -0.00056664608259
                   +0 :               0.00006646593842
                   +1 :               0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :               0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :               0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :              -0.00001983496802
                   +0 :              -0.00001830642555
                   +1 :               0.00012049155269
                4f
                   -3 :               0.00028267744573
                   -2 :              -0.00030348797075
                   -1 :              -0.00002574015276
                   +0 :               0.00008921055722
                   +1 :              -0.00022203353450
                   +2 :               0.00009180670200
                   +3 :               0.00001689641470
             11 vec=   -10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018703291945
                   +0 :               0.00032998654240
                   +1 :              -0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :               0.00056664608259
                   +0 :               0.00006646593842
                   +1 :               0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :              -0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :               0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :               0.00001983496802
                   +0 :              -0.00001830642555
                   +1 :               0.00012049155269
                4f
                   -3 :              -0.00028267744573
                   -2 :               0.00030348797075
                   -1 :               0.00002574015276
                   +0 :               0.00008921055722
                   +1 :              -0.00022203353450
                   +2 :               0.00009180670200
                   +3 :               0.00001689641470
             12 vec=    -3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018582911896
                   +0 :               0.00032998654240
                   +1 :              -0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :               0.00014498221331
                   +0 :               0.00006646593842
                   +1 :              -0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :               0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :               0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :               0.00012049155269
                   +0 :              -0.00001830642555
                   +1 :              -0.00001983496802
                4f
                   -3 :              -0.00001689641470
                   -2 :              -0.00030348797075
                   -1 :              -0.00022203353450
                   +0 :               0.00008921055722
                   +1 :              -0.00002574015276
                   +2 :              -0.00009180670200
                   +3 :              -0.00028267744573
             13 vec=    -3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018582911896
                   +0 :               0.00032998654240
                   +1 :              -0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :              -0.00014498221331
                   +0 :               0.00006646593842
                   +1 :              -0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :              -0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :               0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :              -0.00012049155269
                   +0 :              -0.00001830642555
                   +1 :              -0.00001983496802
                4f
                   -3 :               0.00001689641470
                   -2 :               0.00030348797075
                   -1 :               0.00022203353450
                   +0 :               0.00008921055722
                   +1 :              -0.00002574015276
                   +2 :              -0.00009180670200
                   +3 :              -0.00028267744573
             14 vec=     3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018582911896
                   +0 :               0.00032998654240
                   +1 :               0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :               0.00014498221331
                   +0 :               0.00006646593842
                   +1 :               0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :               0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :              -0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :               0.00012049155269
                   +0 :              -0.00001830642555
                   +1 :               0.00001983496802
                4f
                   -3 :              -0.00001689641470
                   -2 :               0.00030348797075
                   -1 :              -0.00022203353450
                   +0 :               0.00008921055722
                   +1 :               0.00002574015276
                   +2 :              -0.00009180670200
                   +3 :               0.00028267744573
             15 vec=     3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018582911896
                   +0 :               0.00032998654240
                   +1 :               0.00018703291945
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :              -0.00014498221331
                   +0 :               0.00006646593842
                   +1 :               0.00056664608259
                   +2 :               0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :              -0.00004019607746
                   +0 :              -0.00007598505518
                   +1 :              -0.00012531027742
                   +2 :              -0.00008190518513
                6p
                   -1 :              -0.00012049155269
                   +0 :              -0.00001830642555
                   +1 :               0.00001983496802
                4f
                   -3 :               0.00001689641470
                   -2 :              -0.00030348797075
                   -1 :               0.00022203353450
                   +0 :               0.00008921055722
                   +1 :               0.00002574015276
                   +2 :              -0.00009180670200
                   +3 :               0.00028267744573
             16 vec=    10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :              -0.00018703291945
                   +0 :               0.00032998654240
                   +1 :               0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :              -0.00013046514027
                   -1 :              -0.00056664608259
                   +0 :               0.00006646593842
                   +1 :              -0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :              -0.00001649172468
                   -1 :               0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :              -0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :              -0.00001983496802
                   +0 :              -0.00001830642555
                   +1 :              -0.00012049155269
                4f
                   -3 :               0.00028267744573
                   -2 :               0.00030348797075
                   -1 :              -0.00002574015276
                   +0 :               0.00008921055722
                   +1 :               0.00022203353450
                   +2 :               0.00009180670200
                   +3 :              -0.00001689641470
             17 vec=    10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00019023222512
                5p
                   -1 :               0.00018703291945
                   +0 :               0.00032998654240
                   +1 :               0.00018582911896
                6s
                   +0 :               0.00002382173406
                7s
                   +0 :              -0.00001816008468
                5d
                   -2 :               0.00013046514027
                   -1 :               0.00056664608259
                   +0 :               0.00006646593842
                   +1 :              -0.00014498221331
                   +2 :              -0.00024629387734
                6d
                   -2 :               0.00001649172468
                   -1 :              -0.00012531027742
                   +0 :              -0.00007598505518
                   +1 :              -0.00004019607746
                   +2 :               0.00008190518513
                6p
                   -1 :               0.00001983496802
                   +0 :              -0.00001830642555
                   +1 :              -0.00012049155269
                4f
                   -3 :              -0.00028267744573
                   -2 :              -0.00030348797075
                   -1 :               0.00002574015276
                   +0 :               0.00008921055722
                   +1 :               0.00022203353450
                   +2 :               0.00009180670200
                   +3 :              -0.00001689641470
             18 vec=    -7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :              -0.00017773103599
                   +0 :              -0.00005478333772
                   +1 :              -0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :               0.00005447385478
                   -1 :              -0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :              -0.00042069859684
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002822025135
                   -1 :              -0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :              -0.00006682615874
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00008401836324
                   +0 :               0.00009700239375
                   +1 :               0.00008401836324
                4f
                   -3 :               0.00005130170885
                   -2 :              -0.00026806479016
                   -1 :              -0.00023760800045
                   +0 :               0.00017470146663
                   +1 :              -0.00023760800045
                   +2 :              -0.00000000000000
                   +3 :              -0.00005130170885
             19 vec=    -7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :               0.00017773103599
                   +0 :              -0.00005478333772
                   +1 :              -0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :              -0.00005447385478
                   -1 :               0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :              -0.00042069859684
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00002822025135
                   -1 :               0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :              -0.00006682615874
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00008401836324
                   +0 :               0.00009700239375
                   +1 :               0.00008401836324
                4f
                   -3 :              -0.00005130170885
                   -2 :               0.00026806479016
                   -1 :               0.00023760800045
                   +0 :               0.00017470146663
                   +1 :              -0.00023760800045
                   +2 :              -0.00000000000000
                   +3 :              -0.00005130170885
             20 vec=     7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :              -0.00017773103599
                   +0 :              -0.00005478333772
                   +1 :               0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :              -0.00005447385478
                   -1 :              -0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :               0.00042069859684
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00002822025135
                   -1 :              -0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :               0.00006682615874
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00008401836324
                   +0 :               0.00009700239375
                   +1 :              -0.00008401836324
                4f
                   -3 :               0.00005130170885
                   -2 :               0.00026806479016
                   -1 :              -0.00023760800045
                   +0 :               0.00017470146663
                   +1 :               0.00023760800045
                   +2 :               0.00000000000000
                   +3 :               0.00005130170885
             21 vec=     7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00022207278957
                5p
                   -1 :               0.00017773103599
                   +0 :              -0.00005478333772
                   +1 :               0.00017773103599
                6s
                   +0 :              -0.00027718223811
                7s
                   +0 :               0.00003315975860
                5d
                   -2 :               0.00005447385478
                   -1 :               0.00042069859684
                   +0 :              -0.00017649576101
                   +1 :               0.00042069859684
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00002822025135
                   -1 :               0.00006682615874
                   +0 :              -0.00002125646452
                   +1 :               0.00006682615874
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00008401836324
                   +0 :               0.00009700239375
                   +1 :              -0.00008401836324
                4f
                   -3 :              -0.00005130170885
                   -2 :              -0.00026806479016
                   -1 :               0.00023760800045
                   +0 :               0.00017470146663
                   +1 :               0.00023760800045
                   +2 :               0.00000000000000
                   +3 :               0.00005130170885
             22 vec=   -10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :               0.00023460528002
                   +0 :               0.00014045949021
                   +1 :               0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :               0.00021865836911
                   -1 :               0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :               0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00014156569625
                   -1 :               0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :               0.00004674637606
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00002156201658
                   +0 :               0.00002823758987
                   +1 :              -0.00002156201658
                4f
                   -3 :               0.00009866381820
                   -2 :              -0.00005188165534
                   -1 :              -0.00011570984115
                   +0 :              -0.00004663661083
                   +1 :              -0.00011570984115
                   +2 :               0.00000000000000
                   +3 :              -0.00009866381820
             23 vec=   -10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :              -0.00023460528002
                   +0 :               0.00014045949021
                   +1 :               0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :              -0.00021865836911
                   -1 :              -0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :               0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00014156569625
                   -1 :              -0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :               0.00004674637606
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00002156201658
                   +0 :               0.00002823758987
                   +1 :              -0.00002156201658
                4f
                   -3 :              -0.00009866381820
                   -2 :               0.00005188165534
                   -1 :               0.00011570984115
                   +0 :              -0.00004663661083
                   +1 :              -0.00011570984115
                   +2 :               0.00000000000000
                   +3 :              -0.00009866381820
             24 vec=    10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :               0.00023460528002
                   +0 :               0.00014045949021
                   +1 :              -0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :              -0.00021865836911
                   -1 :               0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :              -0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00014156569625
                   -1 :               0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :              -0.00004674637606
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00002156201658
                   +0 :               0.00002823758987
                   +1 :               0.00002156201658
                4f
                   -3 :               0.00009866381820
                   -2 :               0.00005188165534
                   -1 :              -0.00011570984115
                   +0 :              -0.00004663661083
                   +1 :               0.00011570984115
                   +2 :               0.00000000000000
                   +3 :               0.00009866381820
             25 vec=    10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00022855780242
                5p
                   -1 :              -0.00023460528002
                   +0 :               0.00014045949021
                   +1 :              -0.00023460528002
                6s
                   +0 :               0.00015936878848
                7s
                   +0 :              -0.00007426783230
                5d
                   -2 :               0.00021865836911
                   -1 :              -0.00013168077156
                   +0 :              -0.00010037066949
                   +1 :              -0.00013168077156
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00014156569625
                   -1 :              -0.00004674637606
                   +0 :              -0.00007441943175
                   +1 :              -0.00004674637606
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00002156201658
                   +0 :               0.00002823758987
                   +1 :               0.00002156201658
                4f
                   -3 :              -0.00009866381820
                   -2 :              -0.00005188165534
                   -1 :               0.00011570984115
                   +0 :              -0.00004663661083
                   +1 :               0.00011570984115
                   +2 :               0.00000000000000
                   +3 :               0.00009866381820
             26 vec=     0.000000      0.000000     16.023305   |vec|=   16.023305
                5s
                   +0 :               0.00041941494847
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00043920967479
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00091561627371
                7s
                   +0 :               0.00000212851484
                5d
                   -1 :              -0.00000000000000
                   +0 :               0.00272337773641
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -1 :              -0.00000000000000
                   +0 :              -0.00067233427842
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00033102460875
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00150569417234
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             27 vec=   -14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00001310546968
                   +1 :               0.00002140320459
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00014800715741
                   +1 :              -0.00001370681402
                   +2 :               0.00009873112594
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004319121659
                   +1 :               0.00002895827129
                   +2 :              -0.00002157524962
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00002339135077
                   +1 :              -0.00000117322721
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004372967427
                   +1 :              -0.00005172750882
                   +2 :               0.00001591749846
                   +3 :               0.00005940169032
             28 vec=     0.000000    -14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :               0.00002140320459
                   +0 :               0.00001310546968
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001370681402
                   +0 :              -0.00014800715741
                   +1 :               0.00000000000000
                   +2 :              -0.00009873112594
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00002895827129
                   +0 :               0.00004319121659
                   +1 :              -0.00000000000000
                   +2 :               0.00002157524962
                6p
                   -1 :              -0.00000117322721
                   +0 :              -0.00002339135077
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005940169032
                   -2 :               0.00000000000000
                   -1 :              -0.00005172750882
                   +0 :               0.00004372967427
                   +1 :              -0.00000000000000
                   +2 :              -0.00001591749846
                   +3 :              -0.00000000000000
             29 vec=     0.000000     14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :              -0.00002140320459
                   +0 :               0.00001310546968
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00001370681402
                   +0 :              -0.00014800715741
                   +1 :              -0.00000000000000
                   +2 :              -0.00009873112594
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002895827129
                   +0 :               0.00004319121659
                   +1 :               0.00000000000000
                   +2 :               0.00002157524962
                6p
                   -1 :               0.00000117322721
                   +0 :              -0.00002339135077
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00005940169032
                   -2 :               0.00000000000000
                   -1 :               0.00005172750882
                   +0 :               0.00004372967427
                   +1 :              -0.00000000000000
                   +2 :              -0.00001591749846
                   +3 :              -0.00000000000000
             30 vec=    14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00003488213818
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00001310546968
                   +1 :              -0.00002140320459
                6s
                   +0 :               0.00007937639424
                7s
                   +0 :              -0.00000834543605
                5d
                   -2 :               0.00000000000000
                   +0 :              -0.00014800715741
                   +1 :               0.00001370681402
                   +2 :               0.00009873112594
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004319121659
                   +1 :              -0.00002895827129
                   +2 :              -0.00002157524962
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00002339135077
                   +1 :               0.00000117322721
                4f
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004372967427
                   +1 :               0.00005172750882
                   +2 :               0.00001591749846
                   +3 :              -0.00005940169032
             31 vec=    -7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00037936475030
                   +1 :               0.00021406896039
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00041245742749
                   +1 :              -0.00106430720803
                   +2 :               0.00054159412178
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004822194949
                   +1 :              -0.00000401108838
                   +2 :              -0.00002698848582
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00007012127421
                   +1 :              -0.00001577231687
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   +0 :               0.00002683940904
                   +1 :               0.00056387275050
                   +2 :              -0.00050839718606
                   +3 :               0.00020966988745
             32 vec=     0.000000     -7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :               0.00021406896039
                   +0 :              -0.00037936475030
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00106430720803
                   +0 :               0.00041245742749
                   +1 :              -0.00000000000000
                   +2 :              -0.00054159412178
                6d
                   -1 :              -0.00000401108838
                   +0 :              -0.00004822194949
                   +1 :               0.00000000000000
                   +2 :               0.00002698848582
                6p
                   -1 :              -0.00001577231687
                   +0 :              -0.00007012127421
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00020966988745
                   -2 :               0.00000000000000
                   -1 :               0.00056387275050
                   +0 :               0.00002683940904
                   +1 :              -0.00000000000000
                   +2 :               0.00050839718606
                   +3 :               0.00000000000000
             33 vec=     0.000000      7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :              -0.00021406896039
                   +0 :              -0.00037936475030
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00106430720803
                   +0 :               0.00041245742749
                   +1 :               0.00000000000000
                   +2 :              -0.00054159412178
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000401108838
                   +0 :              -0.00004822194949
                   +1 :              -0.00000000000000
                   +2 :               0.00002698848582
                6p
                   -1 :               0.00001577231687
                   +0 :              -0.00007012127421
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00020966988745
                   -2 :               0.00000000000000
                   -1 :              -0.00056387275050
                   +0 :               0.00002683940904
                   +1 :              -0.00000000000000
                   +2 :               0.00050839718606
                   +3 :              -0.00000000000000
             34 vec=     7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00008506765625
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00037936475030
                   +1 :              -0.00021406896039
                6s
                   +0 :              -0.00036574202891
                7s
                   +0 :               0.00001103670285
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00041245742749
                   +1 :               0.00106430720803
                   +2 :               0.00054159412178
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004822194949
                   +1 :               0.00000401108838
                   +2 :              -0.00002698848582
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007012127421
                   +1 :               0.00001577231687
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002683940904
                   +1 :              -0.00056387275050
                   +2 :              -0.00050839718606
                   +3 :              -0.00020966988745
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site Cu(  3)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :               0.00148783794229
                4s
                   +0 :              -0.12301773631617
                5s
                   +0 :               0.00350335040890
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.99572664469979
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.01579731324931
                   +1 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                3s
                   +0 :              -0.00122840686149
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00096515666424
                4s
                   +0 :               0.00669215484850
                5s
                   +0 :              -0.00034875629428
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00144274070860
                   +1 :              -0.00000000000000
                   +2 :              -0.00177133413116
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00039128342426
                   +1 :               0.00000000000000
                   +2 :              -0.00063328675970
                4p
                   -1 :               0.00000000000000
                   +1 :               0.00030792524921
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                3s
                   +0 :              -0.00122840686149
                3p
                   -1 :               0.00096515666424
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00669215484850
                5s
                   +0 :              -0.00034875629428
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00144274070860
                   +1 :               0.00000000000000
                   +2 :               0.00177133413116
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00039128342426
                   +1 :              -0.00000000000000
                   +2 :               0.00063328675970
                4p
                   -1 :               0.00030792524921
                   +1 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                3s
                   +0 :              -0.00122840686149
                3p
                   -1 :              -0.00096515666424
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00669215484850
                5s
                   +0 :              -0.00034875629428
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00144274070860
                   +1 :               0.00000000000000
                   +2 :               0.00177133413116
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00039128342426
                   +1 :              -0.00000000000000
                   +2 :               0.00063328675970
                4p
                   -1 :              -0.00030792524921
                   +1 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                3s
                   +0 :              -0.00122840686149
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00096515666424
                4s
                   +0 :               0.00669215484850
                5s
                   +0 :              -0.00034875629428
                3d
                   -2 :              -0.00000000000000
                   +0 :               0.00144274070860
                   +1 :              -0.00000000000000
                   +2 :              -0.00177133413116
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00039128342426
                   +1 :               0.00000000000000
                   +2 :              -0.00063328675970
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.00030792524921
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00020676464688
                3p
                   -1 :              -0.00001278076255
                   +0 :              -0.00000000000000
                   +1 :              -0.00001278076255
                4s
                   +0 :               0.00303662554948
                5s
                   +0 :              -0.00023731914704
                3d
                   -2 :              -0.00046470038986
                   -1 :              -0.00000000000000
                   +0 :               0.00035568136014
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00004751722611
                   -1 :               0.00000000000000
                   +0 :              -0.00013465098166
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00038939952380
                   +0 :              -0.00000000000000
                   +1 :              -0.00038939952380
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00020676464688
                3p
                   -1 :               0.00001278076255
                   +0 :               0.00000000000000
                   +1 :              -0.00001278076255
                4s
                   +0 :               0.00303662554948
                5s
                   +0 :              -0.00023731914704
                3d
                   -2 :               0.00046470038986
                   -1 :               0.00000000000000
                   +0 :               0.00035568136014
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00004751722611
                   -1 :              -0.00000000000000
                   +0 :              -0.00013465098166
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00038939952380
                   +1 :              -0.00038939952380
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00020676464688
                3p
                   -1 :              -0.00001278076255
                   +0 :              -0.00000000000000
                   +1 :               0.00001278076255
                4s
                   +0 :               0.00303662554948
                5s
                   +0 :              -0.00023731914704
                3d
                   -2 :               0.00046470038986
                   -1 :               0.00000000000000
                   +0 :               0.00035568136014
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00004751722611
                   -1 :              -0.00000000000000
                   +0 :              -0.00013465098166
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00038939952380
                   +0 :               0.00000000000000
                   +1 :               0.00038939952380
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00020676464688
                3p
                   -1 :               0.00001278076255
                   +1 :               0.00001278076255
                4s
                   +0 :               0.00303662554948
                5s
                   +0 :              -0.00023731914704
                3d
                   -2 :              -0.00046470038986
                   -1 :              -0.00000000000000
                   +0 :               0.00035568136014
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00004751722611
                   -1 :               0.00000000000000
                   +0 :              -0.00013465098166
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00038939952380
                   +0 :               0.00000000000000
                   +1 :               0.00038939952380
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :              -0.00001086019232
                   +0 :              -0.00004065898579
                   +1 :              -0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :               0.00016112134630
                   -1 :              -0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :              -0.00008642228048
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001890228918
                   -1 :               0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :               0.00002161953373
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00010456489283
                   +0 :               0.00046079757154
                   +1 :              -0.00010456489283
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :              -0.00001086019232
                   +0 :               0.00004065898579
                   +1 :              -0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :               0.00016112134630
                   -1 :               0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :               0.00008642228048
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001890228918
                   -1 :              -0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :              -0.00002161953373
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00010456489283
                   +0 :              -0.00046079757154
                   +1 :              -0.00010456489283
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :               0.00001086019232
                   +0 :              -0.00004065898579
                   +1 :              -0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :              -0.00016112134630
                   -1 :               0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :              -0.00008642228048
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00001890228918
                   -1 :              -0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :               0.00002161953373
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00010456489283
                   +0 :               0.00046079757154
                   +1 :              -0.00010456489283
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :               0.00001086019232
                   +0 :               0.00004065898579
                   +1 :              -0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :              -0.00016112134630
                   -1 :              -0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :               0.00008642228048
                4d
                   -2 :              -0.00001890228918
                   -1 :               0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :              -0.00002161953373
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00010456489283
                   +0 :              -0.00046079757154
                   +1 :              -0.00010456489283
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :              -0.00001086019232
                   +0 :              -0.00004065898579
                   +1 :               0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :              -0.00016112134630
                   -1 :              -0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :               0.00008642228048
                4d
                   -2 :              -0.00001890228918
                   -1 :               0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :              -0.00002161953373
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00010456489283
                   +0 :               0.00046079757154
                   +1 :               0.00010456489283
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :              -0.00001086019232
                   +0 :               0.00004065898579
                   +1 :               0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :              -0.00016112134630
                   -1 :               0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :              -0.00008642228048
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00001890228918
                   -1 :              -0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :               0.00002161953373
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00010456489283
                   +0 :              -0.00046079757154
                   +1 :               0.00010456489283
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :               0.00001086019232
                   +0 :              -0.00004065898579
                   +1 :               0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :               0.00016112134630
                   -1 :               0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :               0.00008642228048
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001890228918
                   -1 :              -0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :              -0.00002161953373
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00010456489283
                   +0 :               0.00046079757154
                   +1 :               0.00010456489283
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00021036537727
                3p
                   -1 :               0.00001086019232
                   +0 :               0.00004065898579
                   +1 :               0.00001086019232
                4s
                   +0 :              -0.00126321203002
                5s
                   +0 :               0.00019386473259
                3d
                   -2 :               0.00016112134630
                   -1 :              -0.00008642228048
                   +0 :              -0.00020601408560
                   +1 :              -0.00008642228048
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001890228918
                   -1 :               0.00002161953373
                   +0 :              -0.00000261709673
                   +1 :               0.00002161953373
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00010456489283
                   +0 :              -0.00046079757154
                   +1 :               0.00010456489283
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00017934067443
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00019406402795
                4s
                   +0 :               0.00034883631429
                5s
                   +0 :              -0.00004290529660
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001738355147
                   +1 :              -0.00000000000000
                   +2 :               0.00010442290556
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001442426107
                   +1 :               0.00000000000000
                   +2 :              -0.00000878333174
                4p
                   -1 :               0.00000000000000
                   +1 :               0.00002010898893
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00017934067443
                3p
                   -1 :              -0.00019406402795
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00034883631429
                5s
                   +0 :              -0.00004290529660
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001738355147
                   +1 :               0.00000000000000
                   +2 :              -0.00010442290556
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001442426107
                   +1 :              -0.00000000000000
                   +2 :               0.00000878333174
                4p
                   -1 :               0.00002010898893
                   +1 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00017934067443
                3p
                   -1 :               0.00019406402795
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00034883631429
                5s
                   +0 :              -0.00004290529660
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001738355147
                   +1 :               0.00000000000000
                   +2 :              -0.00010442290556
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001442426107
                   +1 :              -0.00000000000000
                   +2 :               0.00000878333174
                4p
                   -1 :              -0.00002010898893
                   +1 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00017934067443
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00019406402795
                4s
                   +0 :               0.00034883631429
                5s
                   +0 :              -0.00004290529660
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001738355147
                   +1 :              -0.00000000000000
                   +2 :               0.00010442290556
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001442426107
                   +1 :               0.00000000000000
                   +2 :              -0.00000878333174
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.00002010898893
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :              -0.00000524416610
                   +1 :              -0.00002427246377
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :              -0.00001833605021
                   -1 :              -0.00000000000000
                   +0 :               0.00002890538709
                   +2 :               0.00003046952574
                4d
                   -2 :              -0.00001772734121
                   -1 :              -0.00000000000000
                   +0 :               0.00001052034732
                   +1 :               0.00000000000000
                   +2 :              -0.00000198021960
                4p
                   -1 :               0.00001455430925
                   +1 :              -0.00003654900307
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :               0.00000524416610
                   +1 :              -0.00002427246377
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :               0.00001833605021
                   -1 :               0.00000000000000
                   +0 :               0.00002890538709
                   +1 :               0.00000000000000
                   +2 :               0.00003046952574
                4d
                   -2 :               0.00001772734121
                   -1 :               0.00000000000000
                   +0 :               0.00001052034732
                   +1 :               0.00000000000000
                   +2 :              -0.00000198021960
                4p
                   -1 :              -0.00001455430925
                   +1 :              -0.00003654900307
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :              -0.00002427246377
                   +0 :              -0.00000000000000
                   +1 :              -0.00000524416610
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :              -0.00001833605021
                   -1 :              -0.00000000000000
                   +0 :               0.00002890538709
                   +1 :               0.00000000000000
                   +2 :              -0.00003046952574
                4d
                   -2 :              -0.00001772734121
                   -1 :               0.00000000000000
                   +0 :               0.00001052034732
                   +1 :              -0.00000000000000
                   +2 :               0.00000198021960
                4p
                   -1 :              -0.00003654900307
                   +0 :               0.00000000000000
                   +1 :               0.00001455430925
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :               0.00002427246377
                   +0 :               0.00000000000000
                   +1 :              -0.00000524416610
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :               0.00001833605021
                   -1 :               0.00000000000000
                   +0 :               0.00002890538709
                   +1 :               0.00000000000000
                   +2 :              -0.00003046952574
                4d
                   -2 :               0.00001772734121
                   -1 :              -0.00000000000000
                   +0 :               0.00001052034732
                   +1 :              -0.00000000000000
                   +2 :               0.00000198021960
                4p
                   -1 :               0.00003654900307
                   +1 :               0.00001455430925
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :              -0.00002427246377
                   +0 :              -0.00000000000000
                   +1 :               0.00000524416610
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :               0.00001833605021
                   -1 :               0.00000000000000
                   +0 :               0.00002890538709
                   +1 :               0.00000000000000
                   +2 :              -0.00003046952574
                4d
                   -2 :               0.00001772734121
                   -1 :              -0.00000000000000
                   +0 :               0.00001052034732
                   +1 :              -0.00000000000000
                   +2 :               0.00000198021960
                4p
                   -1 :              -0.00003654900307
                   +1 :              -0.00001455430925
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :               0.00002427246377
                   +0 :               0.00000000000000
                   +1 :               0.00000524416610
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :              -0.00001833605021
                   -1 :              -0.00000000000000
                   +0 :               0.00002890538709
                   +1 :               0.00000000000000
                   +2 :              -0.00003046952574
                4d
                   -2 :              -0.00001772734121
                   -1 :               0.00000000000000
                   +0 :               0.00001052034732
                   +1 :              -0.00000000000000
                   +2 :               0.00000198021960
                4p
                   -1 :               0.00003654900307
                   +0 :              -0.00000000000000
                   +1 :              -0.00001455430925
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :              -0.00000524416610
                   +1 :               0.00002427246377
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :               0.00001833605021
                   -1 :               0.00000000000000
                   +0 :               0.00002890538709
                   +1 :               0.00000000000000
                   +2 :               0.00003046952574
                4d
                   -2 :               0.00001772734121
                   -1 :               0.00000000000000
                   +0 :               0.00001052034732
                   +1 :               0.00000000000000
                   +2 :              -0.00000198021960
                4p
                   -1 :               0.00001455430925
                   +1 :               0.00003654900307
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003762461114
                3p
                   -1 :               0.00000524416610
                   +1 :               0.00002427246377
                4s
                   +0 :               0.00016823896046
                5s
                   +0 :               0.00005922945432
                3d
                   -2 :              -0.00001833605021
                   -1 :              -0.00000000000000
                   +0 :               0.00002890538709
                   +1 :              -0.00000000000000
                   +2 :               0.00003046952574
                4d
                   -2 :              -0.00001772734121
                   -1 :              -0.00000000000000
                   +0 :               0.00001052034732
                   +1 :               0.00000000000000
                   +2 :              -0.00000198021960
                4p
                   -1 :              -0.00001455430925
                   +1 :               0.00003654900307
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000299237831
                   +0 :              -0.00000306507810
                   +1 :              -0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :              -0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :              -0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :              -0.00000440268658
                   +0 :               0.00000462070304
                   +1 :               0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :              -0.00000089629051
                   +0 :              -0.00005794495234
                   +1 :               0.00009185173096
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000299237831
                   +0 :               0.00000306507810
                   +1 :              -0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :               0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :               0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :               0.00000440268658
                   +0 :               0.00000462070304
                   +1 :              -0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :              -0.00000089629051
                   +0 :               0.00005794495234
                   +1 :               0.00009185173096
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000299237831
                   +0 :              -0.00000306507810
                   +1 :              -0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :               0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :              -0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :               0.00000440268658
                   +0 :               0.00000462070304
                   +1 :               0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :               0.00000089629051
                   +0 :              -0.00005794495234
                   +1 :               0.00009185173096
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000299237831
                   +0 :               0.00000306507810
                   +1 :              -0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :              -0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :               0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :              -0.00000440268658
                   +0 :               0.00000462070304
                   +1 :              -0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :               0.00000089629051
                   +0 :               0.00005794495234
                   +1 :               0.00009185173096
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000308494063
                   +0 :              -0.00000306507810
                   +1 :              -0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :              -0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :              -0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :               0.00000664444986
                   +0 :               0.00000462070304
                   +1 :              -0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :               0.00009185173096
                   +0 :              -0.00005794495234
                   +1 :              -0.00000089629051
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000308494063
                   +0 :               0.00000306507810
                   +1 :              -0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :               0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :               0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :              -0.00000664444986
                   +0 :               0.00000462070304
                   +1 :               0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :               0.00009185173096
                   +0 :               0.00005794495234
                   +1 :              -0.00000089629051
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000308494063
                   +0 :              -0.00000306507810
                   +1 :              -0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :               0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :              -0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :              -0.00000664444986
                   +0 :               0.00000462070304
                   +1 :              -0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :              -0.00009185173096
                   +0 :              -0.00005794495234
                   +1 :              -0.00000089629051
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000308494063
                   +0 :               0.00000306507810
                   +1 :              -0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :              -0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :               0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :               0.00000664444986
                   +0 :               0.00000462070304
                   +1 :               0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :              -0.00009185173096
                   +0 :               0.00005794495234
                   +1 :              -0.00000089629051
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000308494063
                   +0 :              -0.00000306507810
                   +1 :               0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :              -0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :               0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :               0.00000664444986
                   +0 :               0.00000462070304
                   +1 :               0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :               0.00009185173096
                   +0 :              -0.00005794495234
                   +1 :               0.00000089629051
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000308494063
                   +0 :               0.00000306507810
                   +1 :               0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :               0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :              -0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :              -0.00000664444986
                   +0 :               0.00000462070304
                   +1 :              -0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :               0.00009185173096
                   +0 :               0.00005794495234
                   +1 :               0.00000089629051
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000308494063
                   +0 :              -0.00000306507810
                   +1 :               0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :               0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :               0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :              -0.00000664444986
                   +0 :               0.00000462070304
                   +1 :               0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :              -0.00009185173096
                   +0 :              -0.00005794495234
                   +1 :               0.00000089629051
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000308494063
                   +0 :               0.00000306507810
                   +1 :               0.00000299237831
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :              -0.00000024228337
                   +0 :              -0.00000190555461
                   +1 :              -0.00002534704342
                   +2 :               0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :               0.00000664444986
                   +0 :               0.00000462070304
                   +1 :              -0.00000440268658
                   +2 :               0.00000530281072
                4p
                   -1 :              -0.00009185173096
                   +0 :               0.00005794495234
                   +1 :               0.00000089629051
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000299237831
                   +0 :              -0.00000306507810
                   +1 :               0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :              -0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :               0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :              -0.00000440268658
                   +0 :               0.00000462070304
                   +1 :              -0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :              -0.00000089629051
                   +0 :              -0.00005794495234
                   +1 :              -0.00009185173096
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :              -0.00000299237831
                   +0 :               0.00000306507810
                   +1 :               0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :              -0.00004294596786
                   -1 :               0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :              -0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :              -0.00000145089640
                   -1 :               0.00000440268658
                   +0 :               0.00000462070304
                   +1 :               0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :              -0.00000089629051
                   +0 :               0.00005794495234
                   +1 :              -0.00009185173096
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000299237831
                   +0 :              -0.00000306507810
                   +1 :               0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :               0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :               0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :               0.00000440268658
                   +0 :               0.00000462070304
                   +1 :              -0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :               0.00000089629051
                   +0 :              -0.00005794495234
                   +1 :              -0.00009185173096
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002700589709
                3p
                   -1 :               0.00000299237831
                   +0 :               0.00000306507810
                   +1 :               0.00000308494063
                4s
                   +0 :              -0.00002040375751
                5s
                   +0 :              -0.00007806439839
                3d
                   -2 :               0.00004294596786
                   -1 :              -0.00002534704342
                   +0 :              -0.00000190555461
                   +1 :              -0.00000024228337
                   +2 :              -0.00004496079591
                4d
                   -2 :               0.00000145089640
                   -1 :              -0.00000440268658
                   +0 :               0.00000462070304
                   +1 :               0.00000664444986
                   +2 :              -0.00000530281072
                4p
                   -1 :               0.00000089629051
                   +0 :               0.00005794495234
                   +1 :              -0.00009185173096
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site O (  4)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.00264863356491
                2s
                   +0 :              -0.03759289752852
                3s
                   +0 :               0.00651053947633
                2p
                   -1 :              -0.01417149342828
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00843536190885
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00342504106841
                   +1 :               0.00000000000000
                   +2 :               0.00285001481547
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.00264863356491
                2s
                   +0 :              -0.03759289752852
                3s
                   +0 :               0.00651053947633
                2p
                   -1 :               0.01417149342828
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00843536190885
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00342504106841
                   +1 :              -0.00000000000000
                   +2 :               0.00285001481547
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :               0.00077858874240
                   +0 :               0.00000000000000
                   +1 :               0.00107976149458
                3p
                   -1 :              -0.00018233183130
                   +1 :              -0.00057238205881
                3d
                   -2 :              -0.00004335821334
                   -1 :               0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :               0.00000000000000
                   +2 :               0.00012716063771
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :              -0.00077858874240
                   +0 :               0.00000000000000
                   +1 :               0.00107976149458
                3p
                   -1 :               0.00018233183130
                   +0 :               0.00000000000000
                   +1 :              -0.00057238205881
                3d
                   -2 :               0.00004335821334
                   -1 :              -0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :               0.00000000000000
                   +2 :               0.00012716063771
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :               0.00077858874240
                   +0 :               0.00000000000000
                   +1 :              -0.00107976149458
                3p
                   -1 :              -0.00018233183130
                   +1 :               0.00057238205881
                3d
                   -2 :               0.00004335821334
                   -1 :              -0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :               0.00000000000000
                   +2 :               0.00012716063771
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :              -0.00077858874240
                   +0 :               0.00000000000000
                   +1 :              -0.00107976149458
                3p
                   -1 :               0.00018233183130
                   +0 :               0.00000000000000
                   +1 :               0.00057238205881
                3d
                   -2 :              -0.00004335821334
                   -1 :               0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :               0.00000000000000
                   +2 :               0.00012716063771
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00016946282885
                2s
                   +0 :              -0.00095898954301
                3s
                   +0 :               0.00032886271726
                2p
                   -1 :               0.00228717994764
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00080979899627
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00005105387263
                   +1 :              -0.00000000000000
                   +2 :               0.00009824356135
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00016946282885
                2s
                   +0 :              -0.00095898954301
                3s
                   +0 :               0.00032886271726
                2p
                   -1 :              -0.00228717994764
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00080979899627
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00005105387263
                   +1 :              -0.00000000000000
                   +2 :               0.00009824356135
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :               0.00053355009532
                   +0 :              -0.00000000000000
                   +1 :               0.00009410218164
                3p
                   -1 :              -0.00021629960079
                   +1 :              -0.00002769702331
                3d
                   -2 :              -0.00002021135349
                   -1 :               0.00000000000000
                   +0 :               0.00002351418539
                   +1 :              -0.00000000000000
                   +2 :               0.00002233631764
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :              -0.00053355009532
                   +0 :              -0.00000000000000
                   +1 :               0.00009410218164
                3p
                   -1 :               0.00021629960079
                   +1 :              -0.00002769702331
                3d
                   -2 :               0.00002021135349
                   -1 :               0.00000000000000
                   +0 :               0.00002351418539
                   +1 :              -0.00000000000000
                   +2 :               0.00002233631764
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :               0.00053355009532
                   +0 :               0.00000000000000
                   +1 :              -0.00009410218164
                3p
                   -1 :              -0.00021629960079
                   +1 :               0.00002769702331
                3d
                   -2 :               0.00002021135349
                   -1 :               0.00000000000000
                   +0 :               0.00002351418539
                   +1 :              -0.00000000000000
                   +2 :               0.00002233631764
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :              -0.00053355009532
                   +0 :              -0.00000000000000
                   +1 :              -0.00009410218164
                3p
                   -1 :               0.00021629960079
                   +1 :               0.00002769702331
                3d
                   -2 :              -0.00002021135349
                   -1 :               0.00000000000000
                   +0 :               0.00002351418539
                   +1 :               0.00000000000000
                   +2 :               0.00002233631764
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00053793908040
                   +1 :              -0.00289722317139
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008218613158
                   +1 :               0.00020706649079
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00014366424032
                   +1 :               0.00007960709267
                   +2 :               0.00013849126893
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00053793908040
                   +1 :              -0.00289722317139
                3p
                   +0 :              -0.00008218613158
                   +1 :               0.00020706649079
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00014366424032
                   +1 :              -0.00007960709267
                   +2 :               0.00013849126893
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00053793908040
                   +1 :               0.00289722317139
                3p
                   +0 :               0.00008218613158
                   +1 :              -0.00020706649079
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00014366424032
                   +1 :              -0.00007960709267
                   +2 :               0.00013849126893
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00053793908040
                   +1 :               0.00289722317139
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00008218613158
                   +1 :              -0.00020706649079
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00014366424032
                   +1 :               0.00007960709267
                   +2 :               0.00013849126893
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :               0.00011845862373
                   +1 :               0.00005816388047
                3p
                   -1 :              -0.00002225510541
                   +0 :              -0.00000000000000
                   +1 :              -0.00001160436997
                3d
                   -2 :              -0.00000297464023
                   -1 :              -0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :               0.00001481631787
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :              -0.00011845862373
                   +0 :               0.00000000000000
                   +1 :               0.00005816388047
                3p
                   -1 :               0.00002225510541
                   +0 :               0.00000000000000
                   +1 :              -0.00001160436997
                3d
                   -2 :               0.00000297464023
                   -1 :               0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :               0.00001481631787
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :               0.00011845862373
                   +0 :               0.00000000000000
                   +1 :              -0.00005816388047
                3p
                   -1 :              -0.00002225510541
                   +1 :               0.00001160436997
                3d
                   -2 :               0.00000297464023
                   -1 :               0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :               0.00001481631787
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :              -0.00011845862373
                   +1 :              -0.00005816388047
                3p
                   -1 :               0.00002225510541
                   +0 :              -0.00000000000000
                   +1 :               0.00001160436997
                3d
                   -2 :              -0.00000297464023
                   -1 :              -0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :               0.00001481631787
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00042622054208
                   +0 :              -0.00023298380924
                   +1 :              -0.00013289161272
                3p
                   -1 :               0.00008584924197
                   +0 :               0.00002938311954
                   +1 :               0.00001007657525
                3d
                   -2 :               0.00001833588568
                   -1 :               0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :              -0.00000935139493
                   +2 :              -0.00000802452461
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00042622054208
                   +0 :               0.00023298380924
                   +1 :              -0.00013289161272
                3p
                   -1 :               0.00008584924197
                   +0 :              -0.00002938311954
                   +1 :               0.00001007657525
                3d
                   -2 :               0.00001833588568
                   -1 :              -0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :               0.00000935139493
                   +2 :              -0.00000802452461
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00042622054208
                   +0 :              -0.00023298380924
                   +1 :              -0.00013289161272
                3p
                   -1 :              -0.00008584924197
                   +0 :               0.00002938311954
                   +1 :               0.00001007657525
                3d
                   -2 :              -0.00001833588568
                   -1 :              -0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :              -0.00000935139493
                   +2 :              -0.00000802452461
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00042622054208
                   +0 :               0.00023298380924
                   +1 :              -0.00013289161272
                3p
                   -1 :              -0.00008584924197
                   +0 :              -0.00002938311954
                   +1 :               0.00001007657525
                3d
                   -2 :              -0.00001833588568
                   -1 :               0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :               0.00000935139493
                   +2 :              -0.00000802452461
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00042622054208
                   +0 :              -0.00023298380924
                   +1 :               0.00013289161272
                3p
                   -1 :               0.00008584924197
                   +0 :               0.00002938311954
                   +1 :              -0.00001007657525
                3d
                   -2 :              -0.00001833588568
                   -1 :               0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :               0.00000935139493
                   +2 :              -0.00000802452461
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00042622054208
                   +0 :               0.00023298380924
                   +1 :               0.00013289161272
                3p
                   -1 :               0.00008584924197
                   +0 :              -0.00002938311954
                   +1 :              -0.00001007657525
                3d
                   -2 :              -0.00001833588568
                   -1 :              -0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :              -0.00000935139493
                   +2 :              -0.00000802452461
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00042622054208
                   +0 :              -0.00023298380924
                   +1 :               0.00013289161272
                3p
                   -1 :              -0.00008584924197
                   +0 :               0.00002938311954
                   +1 :              -0.00001007657525
                3d
                   -2 :               0.00001833588568
                   -1 :              -0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :               0.00000935139493
                   +2 :              -0.00000802452461
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00042622054208
                   +0 :               0.00023298380924
                   +1 :               0.00013289161272
                3p
                   -1 :              -0.00008584924197
                   +0 :              -0.00002938311954
                   +1 :              -0.00001007657525
                3d
                   -2 :               0.00001833588568
                   -1 :               0.00001249931858
                   +0 :              -0.00000511397069
                   +1 :              -0.00000935139493
                   +2 :              -0.00000802452461
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012837248513
                   +1 :              -0.00011405047478
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00009478696920
                   +1 :               0.00016464794254
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000456982551
                   +1 :              -0.00001629422316
                   +2 :              -0.00002406444537
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012837248513
                   +1 :              -0.00011405047478
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00009478696920
                   +1 :               0.00016464794254
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000456982551
                   +1 :               0.00001629422316
                   +2 :              -0.00002406444537
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012837248513
                   +1 :               0.00011405047478
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00009478696920
                   +1 :              -0.00016464794254
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000456982551
                   +1 :               0.00001629422316
                   +2 :              -0.00002406444537
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012837248513
                   +1 :               0.00011405047478
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00009478696920
                   +1 :              -0.00016464794254
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000456982551
                   +1 :              -0.00001629422316
                   +2 :              -0.00002406444537
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :               0.00010440640643
                   +0 :               0.00000000000000
                   +1 :              -0.00005253506522
                3p
                   -1 :               0.00001760623719
                   +0 :               0.00000000000000
                   +1 :              -0.00001300722776
                3d
                   -2 :              -0.00000998082150
                   -1 :              -0.00000000000000
                   +0 :               0.00000982429463
                   +1 :               0.00000000000000
                   +2 :               0.00000798956382
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :              -0.00010440640643
                   +0 :               0.00000000000000
                   +1 :              -0.00005253506522
                3p
                   -1 :              -0.00001760623719
                   +1 :              -0.00001300722776
                3d
                   -2 :               0.00000998082150
                   -1 :              -0.00000000000000
                   +0 :               0.00000982429463
                   +1 :              -0.00000000000000
                   +2 :               0.00000798956382
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000632563313
                2s
                   +0 :              -0.00006936057251
                3s
                   +0 :               0.00002403618897
                2p
                   -1 :               0.00011129209771
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00004752471758
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000177847885
                   +1 :               0.00000000000000
                   +2 :              -0.00000070598876
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000632563313
                2s
                   +0 :              -0.00006936057251
                3s
                   +0 :               0.00002403618897
                2p
                   -1 :              -0.00011129209771
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00004752471758
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000177847885
                   +1 :               0.00000000000000
                   +2 :              -0.00000070598876
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :               0.00010440640643
                   +1 :               0.00005253506522
                3p
                   -1 :               0.00001760623719
                   +1 :               0.00001300722776
                3d
                   -2 :               0.00000998082150
                   -1 :              -0.00000000000000
                   +0 :               0.00000982429463
                   +1 :               0.00000000000000
                   +2 :               0.00000798956382
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :              -0.00010440640643
                   +0 :               0.00000000000000
                   +1 :               0.00005253506522
                3p
                   -1 :              -0.00001760623719
                   +0 :              -0.00000000000000
                   +1 :               0.00001300722776
                3d
                   -2 :              -0.00000998082150
                   -1 :              -0.00000000000000
                   +0 :               0.00000982429463
                   +1 :               0.00000000000000
                   +2 :               0.00000798956382
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00006541221345
                   +0 :               0.00007547836406
                   +1 :               0.00001974326365
                3p
                   -1 :              -0.00001800084387
                   +0 :               0.00001358540995
                   +1 :               0.00002706774012
                3d
                   -2 :               0.00000390945005
                   -1 :              -0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :              -0.00001083751688
                   +2 :              -0.00001035740854
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00006541221345
                   +0 :              -0.00007547836406
                   +1 :               0.00001974326365
                3p
                   -1 :              -0.00001800084387
                   +0 :              -0.00001358540995
                   +1 :               0.00002706774012
                3d
                   -2 :               0.00000390945005
                   -1 :               0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :               0.00001083751688
                   +2 :              -0.00001035740854
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00006541221345
                   +0 :               0.00007547836406
                   +1 :               0.00001974326365
                3p
                   -1 :               0.00001800084387
                   +0 :               0.00001358540995
                   +1 :               0.00002706774012
                3d
                   -2 :              -0.00000390945005
                   -1 :               0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :              -0.00001083751688
                   +2 :              -0.00001035740854
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00006541221345
                   +0 :              -0.00007547836406
                   +1 :               0.00001974326365
                3p
                   -1 :               0.00001800084387
                   +0 :              -0.00001358540995
                   +1 :               0.00002706774012
                3d
                   -2 :              -0.00000390945005
                   -1 :              -0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :               0.00001083751688
                   +2 :              -0.00001035740854
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00006541221345
                   +0 :               0.00007547836406
                   +1 :              -0.00001974326365
                3p
                   -1 :              -0.00001800084387
                   +0 :               0.00001358540995
                   +1 :              -0.00002706774012
                3d
                   -2 :              -0.00000390945005
                   -1 :              -0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :               0.00001083751688
                   +2 :              -0.00001035740854
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00006541221345
                   +0 :              -0.00007547836406
                   +1 :              -0.00001974326365
                3p
                   -1 :              -0.00001800084387
                   +0 :              -0.00001358540995
                   +1 :              -0.00002706774012
                3d
                   -2 :              -0.00000390945005
                   -1 :               0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :              -0.00001083751688
                   +2 :              -0.00001035740854
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00006541221345
                   +0 :               0.00007547836406
                   +1 :              -0.00001974326365
                3p
                   -1 :               0.00001800084387
                   +0 :               0.00001358540995
                   +1 :              -0.00002706774012
                3d
                   -2 :               0.00000390945005
                   -1 :               0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :               0.00001083751688
                   +2 :              -0.00001035740854
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00006541221345
                   +0 :              -0.00007547836406
                   +1 :              -0.00001974326365
                3p
                   -1 :               0.00001800084387
                   +0 :              -0.00001358540995
                   +1 :              -0.00002706774012
                3d
                   -2 :               0.00000390945005
                   -1 :              -0.00000136228923
                   +0 :              -0.00000074528232
                   +1 :              -0.00001083751688
                   +2 :              -0.00001035740854
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site O (  5)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.00264863356491
                2s
                   +0 :              -0.03759289752852
                3s
                   +0 :               0.00651053947633
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.01417149342828
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00843536190885
                3d
                   -2 :              -0.00000000000000
                   +0 :               0.00342504106841
                   +1 :               0.00000000000000
                   +2 :              -0.00285001481547
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.00264863356491
                2s
                   +0 :              -0.03759289752852
                3s
                   +0 :               0.00651053947633
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.01417149342828
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00843536190885
                3d
                   -2 :              -0.00000000000000
                   +0 :               0.00342504106841
                   +1 :               0.00000000000000
                   +2 :              -0.00285001481547
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :               0.00107976149458
                   +0 :               0.00000000000000
                   +1 :               0.00077858874240
                3p
                   -1 :              -0.00057238205881
                   +0 :               0.00000000000000
                   +1 :              -0.00018233183130
                3d
                   -2 :              -0.00004335821334
                   -1 :               0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :              -0.00000000000000
                   +2 :              -0.00012716063771
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :              -0.00107976149458
                   +0 :               0.00000000000000
                   +1 :               0.00077858874240
                3p
                   -1 :               0.00057238205881
                   +0 :               0.00000000000000
                   +1 :              -0.00018233183130
                3d
                   -2 :               0.00004335821334
                   -1 :              -0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :              -0.00000000000000
                   +2 :              -0.00012716063771
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :               0.00107976149458
                   +1 :              -0.00077858874240
                3p
                   -1 :              -0.00057238205881
                   +0 :               0.00000000000000
                   +1 :               0.00018233183130
                3d
                   -2 :               0.00004335821334
                   -1 :              -0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :              -0.00000000000000
                   +2 :              -0.00012716063771
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00031266769830
                2s
                   +0 :              -0.00234074841853
                3s
                   +0 :               0.00076682601097
                2p
                   -1 :              -0.00107976149458
                   +1 :              -0.00077858874240
                3p
                   -1 :               0.00057238205881
                   +1 :               0.00018233183130
                3d
                   -2 :              -0.00004335821334
                   -1 :               0.00000000000000
                   +0 :              -0.00009640681542
                   +1 :              -0.00000000000000
                   +2 :              -0.00012716063771
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00016946282885
                2s
                   +0 :              -0.00095898954301
                3s
                   +0 :               0.00032886271726
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00228717994764
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00080979899627
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005105387263
                   +1 :              -0.00000000000000
                   +2 :              -0.00009824356135
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00016946282885
                2s
                   +0 :              -0.00095898954301
                3s
                   +0 :               0.00032886271726
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00228717994764
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00080979899627
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005105387263
                   +1 :              -0.00000000000000
                   +2 :              -0.00009824356135
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :               0.00009410218164
                   +1 :               0.00053355009532
                3p
                   -1 :              -0.00002769702331
                   +0 :              -0.00000000000000
                   +1 :              -0.00021629960079
                3d
                   -2 :              -0.00002021135349
                   -1 :               0.00000000000000
                   +0 :               0.00002351418539
                   +1 :              -0.00000000000000
                   +2 :              -0.00002233631764
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :              -0.00009410218164
                   +0 :              -0.00000000000000
                   +1 :               0.00053355009532
                3p
                   -1 :               0.00002769702331
                   +0 :               0.00000000000000
                   +1 :              -0.00021629960079
                3d
                   -2 :               0.00002021135349
                   -1 :              -0.00000000000000
                   +0 :               0.00002351418539
                   +1 :               0.00000000000000
                   +2 :              -0.00002233631764
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :               0.00009410218164
                   +0 :              -0.00000000000000
                   +1 :              -0.00053355009532
                3p
                   -1 :              -0.00002769702331
                   +0 :               0.00000000000000
                   +1 :               0.00021629960079
                3d
                   -2 :               0.00002021135349
                   -1 :              -0.00000000000000
                   +0 :               0.00002351418539
                   +1 :               0.00000000000000
                   +2 :              -0.00002233631764
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00008137422261
                2s
                   +0 :              -0.00094190126948
                3s
                   +0 :               0.00017341133777
                2p
                   -1 :              -0.00009410218164
                   +0 :              -0.00000000000000
                   +1 :              -0.00053355009532
                3p
                   -1 :               0.00002769702331
                   +0 :              -0.00000000000000
                   +1 :               0.00021629960079
                3d
                   -2 :              -0.00002021135349
                   -1 :               0.00000000000000
                   +0 :               0.00002351418539
                   +1 :              -0.00000000000000
                   +2 :              -0.00002233631764
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :              -0.00289722317139
                   +0 :              -0.00053793908040
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00020706649079
                   +0 :               0.00008218613158
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007960709267
                   +0 :              -0.00014366424032
                   +1 :              -0.00000000000000
                   +2 :              -0.00013849126893
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :              -0.00289722317139
                   +0 :               0.00053793908040
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00020706649079
                   +0 :              -0.00008218613158
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007960709267
                   +0 :              -0.00014366424032
                   +1 :               0.00000000000000
                   +2 :              -0.00013849126893
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :               0.00289722317139
                   +0 :              -0.00053793908040
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00020706649079
                   +0 :               0.00008218613158
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007960709267
                   +0 :              -0.00014366424032
                   +1 :               0.00000000000000
                   +2 :              -0.00013849126893
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00013229154900
                2s
                   +0 :               0.00147935934143
                3s
                   +0 :              -0.00015338335398
                2p
                   -1 :               0.00289722317139
                   +0 :               0.00053793908040
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00020706649079
                   +0 :              -0.00008218613158
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007960709267
                   +0 :              -0.00014366424032
                   +1 :              -0.00000000000000
                   +2 :              -0.00013849126893
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :               0.00005816388047
                   +1 :               0.00011845862373
                3p
                   -1 :              -0.00001160436997
                   +0 :              -0.00000000000000
                   +1 :              -0.00002225510541
                3d
                   -2 :              -0.00000297464023
                   -1 :              -0.00000000000000
                   +0 :               0.00000243475521
                   +1 :              -0.00000000000000
                   +2 :              -0.00001481631787
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :              -0.00005816388047
                   +1 :               0.00011845862373
                3p
                   -1 :               0.00001160436997
                   +1 :              -0.00002225510541
                3d
                   -2 :               0.00000297464023
                   -1 :               0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :              -0.00001481631787
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :               0.00005816388047
                   +0 :               0.00000000000000
                   +1 :              -0.00011845862373
                3p
                   -1 :              -0.00001160436997
                   +1 :               0.00002225510541
                3d
                   -2 :               0.00000297464023
                   -1 :              -0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :              -0.00001481631787
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00001779910532
                2s
                   +0 :              -0.00026463801671
                3s
                   +0 :               0.00003958610423
                2p
                   -1 :              -0.00005816388047
                   +0 :               0.00000000000000
                   +1 :              -0.00011845862373
                3p
                   -1 :               0.00001160436997
                   +0 :               0.00000000000000
                   +1 :               0.00002225510541
                3d
                   -2 :              -0.00000297464023
                   -1 :              -0.00000000000000
                   +0 :               0.00000243475521
                   +1 :               0.00000000000000
                   +2 :              -0.00001481631787
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00013289161272
                   +0 :              -0.00023298380924
                   +1 :              -0.00042622054208
                3p
                   -1 :               0.00001007657525
                   +0 :               0.00002938311954
                   +1 :               0.00008584924197
                3d
                   -2 :               0.00001833588568
                   -1 :              -0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :               0.00001249931858
                   +2 :               0.00000802452461
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00013289161272
                   +0 :               0.00023298380924
                   +1 :              -0.00042622054208
                3p
                   -1 :               0.00001007657525
                   +0 :              -0.00002938311954
                   +1 :               0.00008584924197
                3d
                   -2 :               0.00001833588568
                   -1 :               0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :              -0.00001249931858
                   +2 :               0.00000802452461
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00013289161272
                   +0 :              -0.00023298380924
                   +1 :              -0.00042622054208
                3p
                   -1 :              -0.00001007657525
                   +0 :               0.00002938311954
                   +1 :               0.00008584924197
                3d
                   -2 :              -0.00001833588568
                   -1 :               0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :               0.00001249931858
                   +2 :               0.00000802452461
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00013289161272
                   +0 :               0.00023298380924
                   +1 :              -0.00042622054208
                3p
                   -1 :              -0.00001007657525
                   +0 :              -0.00002938311954
                   +1 :               0.00008584924197
                3d
                   -2 :              -0.00001833588568
                   -1 :              -0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :              -0.00001249931858
                   +2 :               0.00000802452461
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00013289161272
                   +0 :              -0.00023298380924
                   +1 :               0.00042622054208
                3p
                   -1 :               0.00001007657525
                   +0 :               0.00002938311954
                   +1 :              -0.00008584924197
                3d
                   -2 :              -0.00001833588568
                   -1 :              -0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :              -0.00001249931858
                   +2 :               0.00000802452461
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :              -0.00013289161272
                   +0 :               0.00023298380924
                   +1 :               0.00042622054208
                3p
                   -1 :               0.00001007657525
                   +0 :              -0.00002938311954
                   +1 :              -0.00008584924197
                3d
                   -2 :              -0.00001833588568
                   -1 :               0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :               0.00001249931858
                   +2 :               0.00000802452461
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00013289161272
                   +0 :              -0.00023298380924
                   +1 :               0.00042622054208
                3p
                   -1 :              -0.00001007657525
                   +0 :               0.00002938311954
                   +1 :              -0.00008584924197
                3d
                   -2 :               0.00001833588568
                   -1 :               0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :              -0.00001249931858
                   +2 :               0.00000802452461
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00005074634406
                2s
                   +0 :               0.00052988441597
                3s
                   +0 :              -0.00014451037678
                2p
                   -1 :               0.00013289161272
                   +0 :               0.00023298380924
                   +1 :               0.00042622054208
                3p
                   -1 :              -0.00001007657525
                   +0 :              -0.00002938311954
                   +1 :              -0.00008584924197
                3d
                   -2 :               0.00001833588568
                   -1 :              -0.00000935139493
                   +0 :              -0.00000511397069
                   +1 :               0.00001249931858
                   +2 :               0.00000802452461
             29 vec=    -0.000000    -10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :              -0.00011405047478
                   +0 :              -0.00012837248513
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00016464794254
                   +0 :               0.00009478696920
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001629422316
                   +0 :               0.00000456982551
                   +1 :              -0.00000000000000
                   +2 :               0.00002406444537
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :              -0.00011405047478
                   +0 :               0.00012837248513
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00016464794254
                   +0 :              -0.00009478696920
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001629422316
                   +0 :               0.00000456982551
                   +1 :               0.00000000000000
                   +2 :               0.00002406444537
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :               0.00011405047478
                   +0 :              -0.00012837248513
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00016464794254
                   +0 :               0.00009478696920
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001629422316
                   +0 :               0.00000456982551
                   +1 :               0.00000000000000
                   +2 :               0.00002406444537
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000004340854
                2s
                   +0 :               0.00003708825248
                3s
                   +0 :              -0.00006126525367
                2p
                   -1 :               0.00011405047478
                   +0 :               0.00012837248513
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00016464794254
                   +0 :              -0.00009478696920
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001629422316
                   +0 :               0.00000456982551
                   +1 :              -0.00000000000000
                   +2 :               0.00002406444537
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000632563313
                2s
                   +0 :              -0.00006936057251
                3s
                   +0 :               0.00002403618897
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011129209771
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004752471758
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00000177847885
                   +1 :               0.00000000000000
                   +2 :               0.00000070598876
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :              -0.00005253506522
                   +0 :               0.00000000000000
                   +1 :               0.00010440640643
                3p
                   -1 :              -0.00001300722776
                   +0 :               0.00000000000000
                   +1 :               0.00001760623719
                3d
                   -2 :              -0.00000998082150
                   -1 :               0.00000000000000
                   +0 :               0.00000982429463
                   +1 :               0.00000000000000
                   +2 :              -0.00000798956382
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :               0.00005253506522
                   +0 :               0.00000000000000
                   +1 :               0.00010440640643
                3p
                   -1 :               0.00001300722776
                   +0 :              -0.00000000000000
                   +1 :               0.00001760623719
                3d
                   -2 :               0.00000998082150
                   -1 :               0.00000000000000
                   +0 :               0.00000982429463
                   +1 :              -0.00000000000000
                   +2 :              -0.00000798956382
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :              -0.00005253506522
                   +0 :              -0.00000000000000
                   +1 :              -0.00010440640643
                3p
                   -1 :              -0.00001300722776
                   +0 :              -0.00000000000000
                   +1 :              -0.00001760623719
                3d
                   -2 :               0.00000998082150
                   +0 :               0.00000982429463
                   +1 :              -0.00000000000000
                   +2 :              -0.00000798956382
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000378920153
                2s
                   +0 :              -0.00006657856959
                3s
                   +0 :               0.00002169454012
                2p
                   -1 :               0.00005253506522
                   +0 :              -0.00000000000000
                   +1 :              -0.00010440640643
                3p
                   -1 :               0.00001300722776
                   +1 :              -0.00001760623719
                3d
                   -2 :              -0.00000998082150
                   -1 :               0.00000000000000
                   +0 :               0.00000982429463
                   +1 :               0.00000000000000
                   +2 :              -0.00000798956382
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000632563313
                2s
                   +0 :              -0.00006936057251
                3s
                   +0 :               0.00002403618897
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00011129209771
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004752471758
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00000177847885
                   +1 :               0.00000000000000
                   +2 :               0.00000070598876
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00001974326365
                   +0 :               0.00007547836406
                   +1 :              -0.00006541221345
                3p
                   -1 :               0.00002706774012
                   +0 :               0.00001358540995
                   +1 :              -0.00001800084387
                3d
                   -2 :               0.00000390945005
                   -1 :              -0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :              -0.00000136228923
                   +2 :               0.00001035740854
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00001974326365
                   +0 :              -0.00007547836406
                   +1 :              -0.00006541221345
                3p
                   -1 :               0.00002706774012
                   +0 :              -0.00001358540995
                   +1 :              -0.00001800084387
                3d
                   -2 :               0.00000390945005
                   -1 :               0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :               0.00000136228923
                   +2 :               0.00001035740854
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00001974326365
                   +0 :               0.00007547836406
                   +1 :              -0.00006541221345
                3p
                   -1 :              -0.00002706774012
                   +0 :               0.00001358540995
                   +1 :              -0.00001800084387
                3d
                   -2 :              -0.00000390945005
                   -1 :               0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :              -0.00000136228923
                   +2 :               0.00001035740854
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00001974326365
                   +0 :              -0.00007547836406
                   +1 :              -0.00006541221345
                3p
                   -1 :              -0.00002706774012
                   +0 :              -0.00001358540995
                   +1 :              -0.00001800084387
                3d
                   -2 :              -0.00000390945005
                   -1 :              -0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :               0.00000136228923
                   +2 :               0.00001035740854
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00001974326365
                   +0 :               0.00007547836406
                   +1 :               0.00006541221345
                3p
                   -1 :               0.00002706774012
                   +0 :               0.00001358540995
                   +1 :               0.00001800084387
                3d
                   -2 :              -0.00000390945005
                   -1 :              -0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :               0.00000136228923
                   +2 :               0.00001035740854
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :               0.00001974326365
                   +0 :              -0.00007547836406
                   +1 :               0.00006541221345
                3p
                   -1 :               0.00002706774012
                   +0 :              -0.00001358540995
                   +1 :               0.00001800084387
                3d
                   -2 :              -0.00000390945005
                   -1 :               0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :              -0.00000136228923
                   +2 :               0.00001035740854
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00001974326365
                   +0 :               0.00007547836406
                   +1 :               0.00006541221345
                3p
                   -1 :              -0.00002706774012
                   +0 :               0.00001358540995
                   +1 :               0.00001800084387
                3d
                   -2 :               0.00000390945005
                   -1 :               0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :               0.00000136228923
                   +2 :               0.00001035740854
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000075811696
                2s
                   +0 :              -0.00000069233158
                3s
                   +0 :              -0.00001456685498
                2p
                   -1 :              -0.00001974326365
                   +0 :              -0.00007547836406
                   +1 :               0.00006541221345
                3p
                   -1 :              -0.00002706774012
                   +0 :              -0.00001358540995
                   +1 :               0.00001800084387
                3d
                   -2 :               0.00000390945005
                   -1 :              -0.00001083751688
                   +0 :              -0.00000074528232
                   +1 :              -0.00000136228923
                   +2 :               0.00001035740854
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site O (  6)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                1s
                   +0 :              -0.00394116073827
                2s
                   +0 :               0.08516769765718
                3s
                   +0 :              -0.00787885309489
                2p
                   -1 :               0.00000000000000
                   +0 :               0.04536909522862
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00995376234168
                   +1 :              -0.00000000000000
                3d
                   -1 :               0.00000000000000
                   +0 :               0.00348829484180
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00116686698878
                   +1 :               0.00044590068400
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00001804763613
                   +1 :              -0.00006872953278
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00008469820710
                   +1 :               0.00013295272282
                   +2 :              -0.00003095375426
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :               0.00044590068400
                   +0 :              -0.00116686698878
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00006872953278
                   +0 :               0.00001804763613
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00013295272282
                   +0 :              -0.00008469820710
                   +1 :              -0.00000000000000
                   +2 :               0.00003095375426
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :              -0.00044590068400
                   +0 :              -0.00116686698878
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00006872953278
                   +0 :               0.00001804763613
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00013295272282
                   +0 :              -0.00008469820710
                   +1 :               0.00000000000000
                   +2 :               0.00003095375426
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00116686698878
                   +1 :              -0.00044590068400
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00001804763613
                   +1 :               0.00006872953278
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00008469820710
                   +1 :              -0.00013295272282
                   +2 :              -0.00003095375426
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :               0.00194178524731
                   +0 :              -0.00097740897440
                   +1 :               0.00194178524731
                3p
                   -1 :              -0.00046800455436
                   +0 :              -0.00058771351857
                   +1 :              -0.00046800455436
                3d
                   -2 :               0.00000217014671
                   -1 :               0.00010668887417
                   +0 :               0.00017232707387
                   +1 :               0.00010668887417
                   +2 :              -0.00000000000000
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :              -0.00194178524731
                   +0 :              -0.00097740897440
                   +1 :               0.00194178524731
                3p
                   -1 :               0.00046800455436
                   +0 :              -0.00058771351857
                   +1 :              -0.00046800455436
                3d
                   -2 :              -0.00000217014671
                   -1 :              -0.00010668887417
                   +0 :               0.00017232707387
                   +1 :               0.00010668887417
                   +2 :               0.00000000000000
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :               0.00194178524731
                   +0 :              -0.00097740897440
                   +1 :              -0.00194178524731
                3p
                   -1 :              -0.00046800455436
                   +0 :              -0.00058771351857
                   +1 :               0.00046800455436
                3d
                   -2 :              -0.00000217014671
                   -1 :               0.00010668887417
                   +0 :               0.00017232707387
                   +1 :              -0.00010668887417
                   +2 :              -0.00000000000000
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :              -0.00194178524731
                   +0 :              -0.00097740897440
                   +1 :              -0.00194178524731
                3p
                   -1 :               0.00046800455436
                   +0 :              -0.00058771351857
                   +1 :               0.00046800455436
                3d
                   -2 :               0.00000217014671
                   -1 :              -0.00010668887417
                   +0 :               0.00017232707387
                   +1 :              -0.00010668887417
                   +2 :              -0.00000000000000
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :              -0.00226001033324
                   +0 :               0.00014490414014
                   +1 :              -0.00226001033324
                3p
                   -1 :               0.00096988190394
                   +0 :              -0.00011645940374
                   +1 :               0.00096988190394
                3d
                   -2 :              -0.00011435699601
                   -1 :               0.00004338775000
                   +0 :               0.00002915913414
                   +1 :               0.00004338775000
                   +2 :               0.00000000000000
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :               0.00226001033324
                   +0 :               0.00014490414014
                   +1 :              -0.00226001033324
                3p
                   -1 :              -0.00096988190394
                   +0 :              -0.00011645940374
                   +1 :               0.00096988190394
                3d
                   -2 :               0.00011435699601
                   -1 :              -0.00004338775000
                   +0 :               0.00002915913414
                   +1 :               0.00004338775000
                   +2 :              -0.00000000000000
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :              -0.00226001033324
                   +0 :               0.00014490414014
                   +1 :               0.00226001033324
                3p
                   -1 :               0.00096988190394
                   +0 :              -0.00011645940374
                   +1 :              -0.00096988190394
                3d
                   -2 :               0.00011435699601
                   -1 :               0.00004338775000
                   +0 :               0.00002915913414
                   +1 :              -0.00004338775000
                   +2 :              -0.00000000000000
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :               0.00226001033324
                   +0 :               0.00014490414014
                   +1 :               0.00226001033324
                3p
                   -1 :              -0.00096988190394
                   +0 :              -0.00011645940374
                   +1 :              -0.00096988190394
                3d
                   -2 :              -0.00011435699601
                   -1 :              -0.00004338775000
                   +0 :               0.00002915913414
                   +1 :              -0.00004338775000
                   +2 :               0.00000000000000
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00022115131403
                   +0 :               0.00003504687710
                   +1 :              -0.00006362430237
                3p
                   -1 :              -0.00006330300177
                   +0 :               0.00006212278137
                   +1 :               0.00000940017867
                3d
                   -2 :               0.00000401352166
                   -1 :              -0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :              -0.00000609524130
                   +2 :              -0.00001093194477
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00022115131403
                   +0 :               0.00003504687710
                   +1 :              -0.00006362430237
                3p
                   -1 :               0.00006330300177
                   +0 :               0.00006212278137
                   +1 :               0.00000940017867
                3d
                   -2 :              -0.00000401352166
                   -1 :               0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :              -0.00000609524130
                   +2 :              -0.00001093194477
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00006362430237
                   +0 :               0.00003504687710
                   +1 :               0.00022115131403
                3p
                   -1 :               0.00000940017867
                   +0 :               0.00006212278137
                   +1 :              -0.00006330300177
                3d
                   -2 :               0.00000401352166
                   -1 :              -0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :              -0.00000654947585
                   +2 :               0.00001093194477
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00006362430237
                   +0 :               0.00003504687710
                   +1 :               0.00022115131403
                3p
                   -1 :              -0.00000940017867
                   +0 :               0.00006212278137
                   +1 :              -0.00006330300177
                3d
                   -2 :              -0.00000401352166
                   -1 :               0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :              -0.00000654947585
                   +2 :               0.00001093194477
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00006362430237
                   +0 :               0.00003504687710
                   +1 :              -0.00022115131403
                3p
                   -1 :               0.00000940017867
                   +0 :               0.00006212278137
                   +1 :               0.00006330300177
                3d
                   -2 :              -0.00000401352166
                   -1 :              -0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :               0.00000654947585
                   +2 :               0.00001093194477
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00006362430237
                   +0 :               0.00003504687710
                   +1 :              -0.00022115131403
                3p
                   -1 :              -0.00000940017867
                   +0 :               0.00006212278137
                   +1 :               0.00006330300177
                3d
                   -2 :               0.00000401352166
                   -1 :               0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :               0.00000654947585
                   +2 :               0.00001093194477
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00022115131403
                   +0 :               0.00003504687710
                   +1 :               0.00006362430237
                3p
                   -1 :              -0.00006330300177
                   +0 :               0.00006212278137
                   +1 :              -0.00000940017867
                3d
                   -2 :              -0.00000401352166
                   -1 :              -0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :               0.00000609524130
                   +2 :              -0.00001093194477
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00022115131403
                   +0 :               0.00003504687710
                   +1 :               0.00006362430237
                3p
                   -1 :               0.00006330300177
                   +0 :               0.00006212278137
                   +1 :              -0.00000940017867
                3d
                   -2 :               0.00000401352166
                   -1 :               0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :               0.00000609524130
                   +2 :              -0.00001093194477
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   +0 :              -0.00003878870257
                   +1 :               0.00009273043017
                3p
                   +0 :              -0.00000597430745
                   +1 :              -0.00000649134454
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000419419634
                   +1 :              -0.00000014919997
                   +2 :               0.00000434822938
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   -1 :               0.00009273043017
                   +0 :              -0.00003878870257
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000649134454
                   +0 :              -0.00000597430745
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000014919997
                   +0 :               0.00000419419634
                   +1 :               0.00000000000000
                   +2 :              -0.00000434822938
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   -1 :              -0.00009273043017
                   +0 :              -0.00003878870257
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000649134454
                   +0 :              -0.00000597430745
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000014919997
                   +0 :               0.00000419419634
                   +1 :              -0.00000000000000
                   +2 :              -0.00000434822938
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00003878870257
                   +1 :              -0.00009273043017
                3p
                   +0 :              -0.00000597430745
                   +1 :               0.00000649134454
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000419419634
                   +1 :               0.00000014919997
                   +2 :               0.00000434822938
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00003849812850
                   +0 :              -0.00006278740313
                   +1 :              -0.00004534069153
                3p
                   -1 :              -0.00000244378177
                   +0 :              -0.00000077416451
                   +1 :              -0.00001115725030
                3d
                   -2 :              -0.00000169694250
                   -1 :              -0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :               0.00000115655165
                   +2 :               0.00000980333798
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00003849812850
                   +0 :              -0.00006278740313
                   +1 :              -0.00004534069153
                3p
                   -1 :               0.00000244378177
                   +0 :              -0.00000077416451
                   +1 :              -0.00001115725030
                3d
                   -2 :               0.00000169694250
                   -1 :               0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :               0.00000115655165
                   +2 :               0.00000980333798
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00004534069153
                   +0 :              -0.00006278740313
                   +1 :               0.00003849812850
                3p
                   -1 :              -0.00001115725030
                   +0 :              -0.00000077416451
                   +1 :              -0.00000244378177
                3d
                   -2 :              -0.00000169694250
                   -1 :               0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :              -0.00000162076658
                   +2 :              -0.00000980333798
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00004534069153
                   +0 :              -0.00006278740313
                   +1 :               0.00003849812850
                3p
                   -1 :               0.00001115725030
                   +0 :              -0.00000077416451
                   +1 :              -0.00000244378177
                3d
                   -2 :               0.00000169694250
                   -1 :              -0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :              -0.00000162076658
                   +2 :              -0.00000980333798
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00004534069153
                   +0 :              -0.00006278740313
                   +1 :              -0.00003849812850
                3p
                   -1 :              -0.00001115725030
                   +0 :              -0.00000077416451
                   +1 :               0.00000244378177
                3d
                   -2 :               0.00000169694250
                   -1 :               0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :               0.00000162076658
                   +2 :              -0.00000980333798
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00004534069153
                   +0 :              -0.00006278740313
                   +1 :              -0.00003849812850
                3p
                   -1 :               0.00001115725030
                   +0 :              -0.00000077416451
                   +1 :               0.00000244378177
                3d
                   -2 :              -0.00000169694250
                   -1 :              -0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :               0.00000162076658
                   +2 :              -0.00000980333798
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00003849812850
                   +0 :              -0.00006278740313
                   +1 :               0.00004534069153
                3p
                   -1 :              -0.00000244378177
                   +0 :              -0.00000077416451
                   +1 :               0.00001115725030
                3d
                   -2 :               0.00000169694250
                   -1 :              -0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :              -0.00000115655165
                   +2 :               0.00000980333798
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00003849812850
                   +0 :              -0.00006278740313
                   +1 :               0.00004534069153
                3p
                   -1 :               0.00000244378177
                   +0 :              -0.00000077416451
                   +1 :               0.00001115725030
                3d
                   -2 :              -0.00000169694250
                   -1 :               0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :              -0.00000115655165
                   +2 :               0.00000980333798
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :              -0.00016189230574
                   +0 :               0.00001145257971
                   +1 :              -0.00016189230574
                3p
                   -1 :               0.00000209623542
                   +0 :              -0.00003624307399
                   +1 :               0.00000209623542
                3d
                   -2 :               0.00000637906890
                   -1 :               0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :               0.00001103811731
                   +2 :              -0.00000000000000
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :               0.00016189230574
                   +0 :               0.00001145257971
                   +1 :              -0.00016189230574
                3p
                   -1 :              -0.00000209623542
                   +0 :              -0.00003624307399
                   +1 :               0.00000209623542
                3d
                   -2 :              -0.00000637906890
                   -1 :              -0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :               0.00001103811731
                   +2 :              -0.00000000000000
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :              -0.00016189230574
                   +0 :               0.00001145257971
                   +1 :               0.00016189230574
                3p
                   -1 :               0.00000209623542
                   +0 :              -0.00003624307399
                   +1 :              -0.00000209623542
                3d
                   -2 :              -0.00000637906890
                   -1 :               0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :              -0.00001103811731
                   +2 :               0.00000000000000
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :               0.00016189230574
                   +0 :               0.00001145257971
                   +1 :               0.00016189230574
                3p
                   -1 :              -0.00000209623542
                   +0 :              -0.00003624307399
                   +1 :              -0.00000209623542
                3d
                   -2 :               0.00000637906890
                   -1 :              -0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :              -0.00001103811731
                   +2 :               0.00000000000000
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :               0.00009642054892
                   +0 :               0.00001396394921
                   +1 :               0.00009642054892
                3p
                   -1 :              -0.00005188754312
                   +0 :              -0.00006369829346
                   +1 :              -0.00005188754312
                3d
                   -2 :               0.00001658037774
                   -1 :              -0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :              -0.00000456559262
                   +2 :              -0.00000000000000
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :              -0.00009642054892
                   +0 :               0.00001396394921
                   +1 :               0.00009642054892
                3p
                   -1 :               0.00005188754312
                   +0 :              -0.00006369829346
                   +1 :              -0.00005188754312
                3d
                   -2 :              -0.00001658037774
                   -1 :               0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :              -0.00000456559262
                   +2 :              -0.00000000000000
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :               0.00009642054892
                   +0 :               0.00001396394921
                   +1 :              -0.00009642054892
                3p
                   -1 :              -0.00005188754312
                   +0 :              -0.00006369829346
                   +1 :               0.00005188754312
                3d
                   -2 :              -0.00001658037774
                   -1 :              -0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :               0.00000456559262
                   +2 :               0.00000000000000
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :              -0.00009642054892
                   +0 :               0.00001396394921
                   +1 :              -0.00009642054892
                3p
                   -1 :               0.00005188754312
                   +0 :              -0.00006369829346
                   +1 :               0.00005188754312
                3d
                   -2 :               0.00001658037774
                   -1 :               0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :               0.00000456559262
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  3)=[Cu 3d0]  to site O (  7)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                1s
                   +0 :              -0.00394116073827
                2s
                   +0 :               0.08516769765718
                3s
                   +0 :              -0.00787885309489
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.04536909522862
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00995376234168
                   +1 :               0.00000000000000
                3d
                   -1 :               0.00000000000000
                   +0 :               0.00348829484180
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00116686698878
                   +1 :               0.00044590068400
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00001804763613
                   +1 :              -0.00006872953278
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00008469820710
                   +1 :              -0.00013295272282
                   +2 :              -0.00003095375426
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :               0.00044590068400
                   +0 :               0.00116686698878
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00006872953278
                   +0 :              -0.00001804763613
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00013295272282
                   +0 :              -0.00008469820710
                   +1 :               0.00000000000000
                   +2 :               0.00003095375426
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :              -0.00044590068400
                   +0 :               0.00116686698878
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00006872953278
                   +0 :              -0.00001804763613
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00013295272282
                   +0 :              -0.00008469820710
                   +1 :              -0.00000000000000
                   +2 :               0.00003095375426
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00007648228391
                2s
                   +0 :              -0.00043511805669
                3s
                   +0 :               0.00002275573970
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00116686698878
                   +1 :              -0.00044590068400
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00001804763613
                   +1 :               0.00006872953278
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00008469820710
                   +1 :               0.00013295272282
                   +2 :              -0.00003095375426
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :               0.00194178524731
                   +0 :               0.00097740897440
                   +1 :               0.00194178524731
                3p
                   -1 :              -0.00046800455436
                   +0 :               0.00058771351857
                   +1 :              -0.00046800455436
                3d
                   -2 :               0.00000217014671
                   -1 :              -0.00010668887417
                   +0 :               0.00017232707387
                   +1 :              -0.00010668887417
                   +2 :              -0.00000000000000
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :              -0.00194178524731
                   +0 :               0.00097740897440
                   +1 :               0.00194178524731
                3p
                   -1 :               0.00046800455436
                   +0 :               0.00058771351857
                   +1 :              -0.00046800455436
                3d
                   -2 :              -0.00000217014671
                   -1 :               0.00010668887417
                   +0 :               0.00017232707387
                   +1 :              -0.00010668887417
                   +2 :              -0.00000000000000
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :               0.00194178524731
                   +0 :               0.00097740897440
                   +1 :              -0.00194178524731
                3p
                   -1 :              -0.00046800455436
                   +0 :               0.00058771351857
                   +1 :               0.00046800455436
                3d
                   -2 :              -0.00000217014671
                   -1 :              -0.00010668887417
                   +0 :               0.00017232707387
                   +1 :               0.00010668887417
                   +2 :               0.00000000000000
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00002468334034
                2s
                   +0 :               0.00019113522089
                3s
                   +0 :               0.00046078734819
                2p
                   -1 :              -0.00194178524731
                   +0 :               0.00097740897440
                   +1 :              -0.00194178524731
                3p
                   -1 :               0.00046800455436
                   +0 :               0.00058771351857
                   +1 :               0.00046800455436
                3d
                   -2 :               0.00000217014671
                   -1 :               0.00010668887417
                   +0 :               0.00017232707387
                   +1 :               0.00010668887417
                   +2 :              -0.00000000000000
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :              -0.00226001033324
                   +0 :              -0.00014490414014
                   +1 :              -0.00226001033324
                3p
                   -1 :               0.00096988190394
                   +0 :               0.00011645940374
                   +1 :               0.00096988190394
                3d
                   -2 :              -0.00011435699601
                   -1 :              -0.00004338775000
                   +0 :               0.00002915913414
                   +1 :              -0.00004338775000
                   +2 :               0.00000000000000
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :               0.00226001033324
                   +0 :              -0.00014490414014
                   +1 :              -0.00226001033324
                3p
                   -1 :              -0.00096988190394
                   +0 :               0.00011645940374
                   +1 :               0.00096988190394
                3d
                   -2 :               0.00011435699601
                   -1 :               0.00004338775000
                   +0 :               0.00002915913414
                   +1 :              -0.00004338775000
                   +2 :              -0.00000000000000
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :              -0.00226001033324
                   +0 :              -0.00014490414014
                   +1 :               0.00226001033324
                3p
                   -1 :               0.00096988190394
                   +0 :               0.00011645940374
                   +1 :              -0.00096988190394
                3d
                   -2 :               0.00011435699601
                   -1 :              -0.00004338775000
                   +0 :               0.00002915913414
                   +1 :               0.00004338775000
                   +2 :              -0.00000000000000
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00005823796219
                2s
                   +0 :               0.00196046939676
                3s
                   +0 :              -0.00056251253656
                2p
                   -1 :               0.00226001033324
                   +0 :              -0.00014490414014
                   +1 :               0.00226001033324
                3p
                   -1 :              -0.00096988190394
                   +0 :               0.00011645940374
                   +1 :              -0.00096988190394
                3d
                   -2 :              -0.00011435699601
                   -1 :               0.00004338775000
                   +0 :               0.00002915913414
                   +1 :               0.00004338775000
                   +2 :               0.00000000000000
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00022115131403
                   +0 :              -0.00003504687710
                   +1 :              -0.00006362430237
                3p
                   -1 :              -0.00006330300177
                   +0 :              -0.00006212278137
                   +1 :               0.00000940017867
                3d
                   -2 :               0.00000401352166
                   -1 :               0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :               0.00000609524130
                   +2 :              -0.00001093194477
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00022115131403
                   +0 :              -0.00003504687710
                   +1 :              -0.00006362430237
                3p
                   -1 :               0.00006330300177
                   +0 :              -0.00006212278137
                   +1 :               0.00000940017867
                3d
                   -2 :              -0.00000401352166
                   -1 :              -0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :               0.00000609524130
                   +2 :              -0.00001093194477
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00006362430237
                   +0 :              -0.00003504687710
                   +1 :               0.00022115131403
                3p
                   -1 :               0.00000940017867
                   +0 :              -0.00006212278137
                   +1 :              -0.00006330300177
                3d
                   -2 :               0.00000401352166
                   -1 :               0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :               0.00000654947585
                   +2 :               0.00001093194477
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00006362430237
                   +0 :              -0.00003504687710
                   +1 :               0.00022115131403
                3p
                   -1 :              -0.00000940017867
                   +0 :              -0.00006212278137
                   +1 :              -0.00006330300177
                3d
                   -2 :              -0.00000401352166
                   -1 :              -0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :               0.00000654947585
                   +2 :               0.00001093194477
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00006362430237
                   +0 :              -0.00003504687710
                   +1 :              -0.00022115131403
                3p
                   -1 :               0.00000940017867
                   +0 :              -0.00006212278137
                   +1 :               0.00006330300177
                3d
                   -2 :              -0.00000401352166
                   -1 :               0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :              -0.00000654947585
                   +2 :               0.00001093194477
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00006362430237
                   +0 :              -0.00003504687710
                   +1 :              -0.00022115131403
                3p
                   -1 :              -0.00000940017867
                   +0 :              -0.00006212278137
                   +1 :               0.00006330300177
                3d
                   -2 :               0.00000401352166
                   -1 :              -0.00000609524130
                   +0 :              -0.00000386842698
                   +1 :              -0.00000654947585
                   +2 :               0.00001093194477
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :               0.00022115131403
                   +0 :              -0.00003504687710
                   +1 :               0.00006362430237
                3p
                   -1 :              -0.00006330300177
                   +0 :              -0.00006212278137
                   +1 :              -0.00000940017867
                3d
                   -2 :              -0.00000401352166
                   -1 :               0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :              -0.00000609524130
                   +2 :              -0.00001093194477
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000195107822
                2s
                   +0 :              -0.00002124196813
                3s
                   +0 :              -0.00003357639201
                2p
                   -1 :              -0.00022115131403
                   +0 :              -0.00003504687710
                   +1 :               0.00006362430237
                3p
                   -1 :               0.00006330300177
                   +0 :              -0.00006212278137
                   +1 :              -0.00000940017867
                3d
                   -2 :               0.00000401352166
                   -1 :              -0.00000654947585
                   +0 :              -0.00000386842698
                   +1 :              -0.00000609524130
                   +2 :              -0.00001093194477
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00003878870257
                   +1 :               0.00009273043017
                3p
                   +0 :               0.00000597430745
                   +1 :              -0.00000649134454
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000419419634
                   +1 :               0.00000014919997
                   +2 :               0.00000434822938
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   -1 :               0.00009273043017
                   +0 :               0.00003878870257
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000649134454
                   +0 :               0.00000597430745
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000014919997
                   +0 :               0.00000419419634
                   +1 :              -0.00000000000000
                   +2 :              -0.00000434822938
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   -1 :              -0.00009273043017
                   +0 :               0.00003878870257
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000649134454
                   +0 :               0.00000597430745
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000014919997
                   +0 :               0.00000419419634
                   +1 :               0.00000000000000
                   +2 :              -0.00000434822938
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00001388736436
                2s
                   +0 :              -0.00028839018707
                3s
                   +0 :               0.00004205027566
                2p
                   +0 :               0.00003878870257
                   +1 :              -0.00009273043017
                3p
                   +0 :               0.00000597430745
                   +1 :               0.00000649134454
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000419419634
                   +1 :              -0.00000014919997
                   +2 :               0.00000434822938
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00003849812850
                   +0 :               0.00006278740313
                   +1 :              -0.00004534069153
                3p
                   -1 :              -0.00000244378177
                   +0 :               0.00000077416451
                   +1 :              -0.00001115725030
                3d
                   -2 :              -0.00000169694250
                   -1 :               0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :              -0.00000115655165
                   +2 :               0.00000980333798
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00003849812850
                   +0 :               0.00006278740313
                   +1 :              -0.00004534069153
                3p
                   -1 :               0.00000244378177
                   +0 :               0.00000077416451
                   +1 :              -0.00001115725030
                3d
                   -2 :               0.00000169694250
                   -1 :              -0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :              -0.00000115655165
                   +2 :               0.00000980333798
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00004534069153
                   +0 :               0.00006278740313
                   +1 :               0.00003849812850
                3p
                   -1 :              -0.00001115725030
                   +0 :               0.00000077416451
                   +1 :              -0.00000244378177
                3d
                   -2 :              -0.00000169694250
                   -1 :              -0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :               0.00000162076658
                   +2 :              -0.00000980333798
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00004534069153
                   +0 :               0.00006278740313
                   +1 :               0.00003849812850
                3p
                   -1 :               0.00001115725030
                   +0 :               0.00000077416451
                   +1 :              -0.00000244378177
                3d
                   -2 :               0.00000169694250
                   -1 :               0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :               0.00000162076658
                   +2 :              -0.00000980333798
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00004534069153
                   +0 :               0.00006278740313
                   +1 :              -0.00003849812850
                3p
                   -1 :              -0.00001115725030
                   +0 :               0.00000077416451
                   +1 :               0.00000244378177
                3d
                   -2 :               0.00000169694250
                   -1 :              -0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :              -0.00000162076658
                   +2 :              -0.00000980333798
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00004534069153
                   +0 :               0.00006278740313
                   +1 :              -0.00003849812850
                3p
                   -1 :               0.00001115725030
                   +0 :               0.00000077416451
                   +1 :               0.00000244378177
                3d
                   -2 :              -0.00000169694250
                   -1 :               0.00000115655165
                   +0 :              -0.00000498091961
                   +1 :              -0.00000162076658
                   +2 :              -0.00000980333798
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :               0.00003849812850
                   +0 :               0.00006278740313
                   +1 :               0.00004534069153
                3p
                   -1 :              -0.00000244378177
                   +0 :               0.00000077416451
                   +1 :               0.00001115725030
                3d
                   -2 :               0.00000169694250
                   -1 :               0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :               0.00000115655165
                   +2 :               0.00000980333798
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000212225603
                2s
                   +0 :              -0.00006351695525
                3s
                   +0 :              -0.00000604176711
                2p
                   -1 :              -0.00003849812850
                   +0 :               0.00006278740313
                   +1 :               0.00004534069153
                3p
                   -1 :               0.00000244378177
                   +0 :               0.00000077416451
                   +1 :               0.00001115725030
                3d
                   -2 :              -0.00000169694250
                   -1 :              -0.00000162076658
                   +0 :              -0.00000498091961
                   +1 :               0.00000115655165
                   +2 :               0.00000980333798
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :              -0.00016189230574
                   +0 :              -0.00001145257971
                   +1 :              -0.00016189230574
                3p
                   -1 :               0.00000209623542
                   +0 :               0.00003624307399
                   +1 :               0.00000209623542
                3d
                   -2 :               0.00000637906890
                   -1 :              -0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :              -0.00001103811731
                   +2 :               0.00000000000000
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :               0.00016189230574
                   +0 :              -0.00001145257971
                   +1 :              -0.00016189230574
                3p
                   -1 :              -0.00000209623542
                   +0 :               0.00003624307399
                   +1 :               0.00000209623542
                3d
                   -2 :              -0.00000637906890
                   -1 :               0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :              -0.00001103811731
                   +2 :               0.00000000000000
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :              -0.00016189230574
                   +0 :              -0.00001145257971
                   +1 :               0.00016189230574
                3p
                   -1 :               0.00000209623542
                   +0 :               0.00003624307399
                   +1 :              -0.00000209623542
                3d
                   -2 :              -0.00000637906890
                   -1 :              -0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :               0.00001103811731
                   +2 :              -0.00000000000000
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000111218602
                2s
                   +0 :               0.00011124776268
                3s
                   +0 :               0.00000952138208
                2p
                   -1 :               0.00016189230574
                   +0 :              -0.00001145257971
                   +1 :               0.00016189230574
                3p
                   -1 :              -0.00000209623542
                   +0 :               0.00003624307399
                   +1 :              -0.00000209623542
                3d
                   -2 :               0.00000637906890
                   -1 :               0.00001103811731
                   +0 :              -0.00000681075158
                   +1 :               0.00001103811731
                   +2 :              -0.00000000000000
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :               0.00009642054892
                   +0 :              -0.00001396394921
                   +1 :               0.00009642054892
                3p
                   -1 :              -0.00005188754312
                   +0 :               0.00006369829346
                   +1 :              -0.00005188754312
                3d
                   -2 :               0.00001658037774
                   -1 :               0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :               0.00000456559262
                   +2 :              -0.00000000000000
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :              -0.00009642054892
                   +0 :              -0.00001396394921
                   +1 :               0.00009642054892
                3p
                   -1 :               0.00005188754312
                   +0 :               0.00006369829346
                   +1 :              -0.00005188754312
                3d
                   -2 :              -0.00001658037774
                   -1 :              -0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :               0.00000456559262
                   +2 :               0.00000000000000
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :               0.00009642054892
                   +0 :              -0.00001396394921
                   +1 :              -0.00009642054892
                3p
                   -1 :              -0.00005188754312
                   +0 :               0.00006369829346
                   +1 :               0.00005188754312
                3d
                   -2 :              -0.00001658037774
                   -1 :               0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :              -0.00000456559262
                   +2 :              -0.00000000000000
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00001005534315
                2s
                   +0 :              -0.00018283700929
                3s
                   +0 :               0.00002972146044
                2p
                   -1 :              -0.00009642054892
                   +0 :              -0.00001396394921
                   +1 :              -0.00009642054892
                3p
                   -1 :               0.00005188754312
                   +0 :               0.00006369829346
                   +1 :               0.00005188754312
                3d
                   -2 :               0.00001658037774
                   -1 :              -0.00000456559262
                   +0 :              -0.00000577442693
                   +1 :              -0.00000456559262
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :               0.01006943270495
                   +0 :               0.00820779043695
                   +1 :               0.00918075911824
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :               0.00237031735017
                   +0 :              -0.00141219147339
                   +1 :               0.01323861248020
                   +2 :               0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :              -0.00047471010057
                   +0 :               0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :              -0.00023426682504
                6p
                   -1 :               0.00089101872021
                   +0 :               0.00132402046534
                   +1 :               0.00150686903794
                4f
                   -3 :               0.00559523831698
                   -2 :               0.00894932894794
                   -1 :              -0.00110679581476
                   +0 :              -0.00143959051890
                   +1 :               0.00165809558427
                   +2 :               0.00423642222172
                   +3 :              -0.00438320125995
              2 vec=    -3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :              -0.01006943270495
                   +0 :               0.00820779043695
                   +1 :               0.00918075911824
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :              -0.00237031735017
                   +0 :              -0.00141219147339
                   +1 :               0.01323861248020
                   +2 :               0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :               0.00047471010057
                   +0 :               0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :              -0.00023426682504
                6p
                   -1 :              -0.00089101872021
                   +0 :               0.00132402046534
                   +1 :               0.00150686903794
                4f
                   -3 :              -0.00559523831698
                   -2 :              -0.00894932894794
                   -1 :               0.00110679581476
                   +0 :              -0.00143959051890
                   +1 :               0.00165809558427
                   +2 :               0.00423642222172
                   +3 :              -0.00438320125995
              3 vec=     3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :              -0.01006943270495
                   +0 :              -0.00820779043695
                   +1 :               0.00918075911824
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :              -0.00237031735017
                   +0 :               0.00141219147339
                   +1 :               0.01323861248020
                   +2 :              -0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :               0.00047471010057
                   +0 :              -0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :               0.00023426682504
                6p
                   -1 :              -0.00089101872021
                   +0 :              -0.00132402046534
                   +1 :               0.00150686903794
                4f
                   -3 :              -0.00559523831698
                   -2 :               0.00894932894794
                   -1 :               0.00110679581476
                   +0 :               0.00143959051890
                   +1 :               0.00165809558427
                   +2 :              -0.00423642222172
                   +3 :              -0.00438320125995
              4 vec=     3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :               0.01006943270495
                   +0 :              -0.00820779043695
                   +1 :               0.00918075911824
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :               0.00237031735017
                   +0 :               0.00141219147339
                   +1 :               0.01323861248020
                   +2 :              -0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :              -0.00047471010057
                   +0 :              -0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :               0.00023426682504
                6p
                   -1 :               0.00089101872021
                   +0 :              -0.00132402046534
                   +1 :               0.00150686903794
                4f
                   -3 :               0.00559523831698
                   -2 :              -0.00894932894794
                   -1 :              -0.00110679581476
                   +0 :               0.00143959051890
                   +1 :               0.00165809558427
                   +2 :              -0.00423642222172
                   +3 :              -0.00438320125995
              5 vec=     0.000000      0.000000      9.013109   |vec|=    9.013109
                5s
                   +0 :              -0.00000000000000
                5p
                   +0 :              -0.00000000000000
                   +1 :              -0.00120434408547
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00840042863155
                   +2 :               0.00000000000000
                6d
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00213710828165
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +1 :              -0.00070602537952
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00412635634967
                   +2 :               0.00000000000000
                   +3 :              -0.00035238210824
              6 vec=    -7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00037082887789
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00034415724389
                   +1 :               0.00022496213041
                6s
                   +0 :              -0.00073728670007
                7s
                   +0 :              -0.00004027360594
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00219621799344
                   +1 :               0.00132027982909
                   +2 :               0.00012371936181
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00016140266983
                   +1 :              -0.00018451115026
                   +2 :              -0.00030112901203
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00025124853999
                   +1 :              -0.00005440171325
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00129497146417
                   +1 :              -0.00106737132042
                   +2 :               0.00002500471048
                   +3 :              -0.00018668436934
              7 vec=     0.000000     -7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00021935910533
                5d
                   -2 :              -0.00003109963235
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00026690997072
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00007406511935
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00036032330886
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00020624881958
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00010939815685
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00024352584102
                   +2 :              -0.00000000000000
                   +3 :              -0.00010753998617
              8 vec=     0.000000      7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00021935910533
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003109963235
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00026690997072
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00007406511935
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00036032330886
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00020624881958
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00010939815685
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00024352584102
                   +2 :              -0.00000000000000
                   +3 :              -0.00010753998617
              9 vec=     7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00037082887789
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00034415724389
                   +1 :               0.00022496213041
                6s
                   +0 :               0.00073728670007
                7s
                   +0 :               0.00004027360594
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00219621799344
                   +1 :               0.00132027982909
                   +2 :              -0.00012371936181
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00016140266983
                   +1 :              -0.00018451115026
                   +2 :               0.00030112901203
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00025124853999
                   +1 :              -0.00005440171325
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00129497146417
                   +1 :              -0.00106737132042
                   +2 :              -0.00002500471048
                   +3 :              -0.00018668436934
             10 vec=   -10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :              -0.00017124346051
                   +0 :               0.00008543656121
                   +1 :               0.00036492192273
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :               0.00078485342037
                   +0 :              -0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :               0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :              -0.00024504126512
                   +0 :               0.00021313934191
                   +1 :               0.00024374758077
                   +2 :              -0.00026276290625
                6p
                   -1 :              -0.00017010959079
                   +0 :               0.00003382027162
                   +1 :               0.00012778319443
                4f
                   -3 :              -0.00012638213085
                   -2 :              -0.00013547449566
                   -1 :              -0.00011857979787
                   +0 :              -0.00039878989582
                   +1 :              -0.00031870171345
                   +2 :              -0.00004026880667
                   +3 :               0.00079793906296
             11 vec=   -10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :               0.00017124346051
                   +0 :               0.00008543656121
                   +1 :               0.00036492192273
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :              -0.00078485342037
                   +0 :              -0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :               0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :               0.00024504126512
                   +0 :               0.00021313934191
                   +1 :               0.00024374758077
                   +2 :              -0.00026276290625
                6p
                   -1 :               0.00017010959079
                   +0 :               0.00003382027162
                   +1 :               0.00012778319443
                4f
                   -3 :               0.00012638213085
                   -2 :               0.00013547449566
                   -1 :               0.00011857979787
                   +0 :              -0.00039878989582
                   +1 :              -0.00031870171345
                   +2 :              -0.00004026880667
                   +3 :               0.00079793906296
             12 vec=    -3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :               0.00060602430530
                   +0 :               0.00004878771964
                   +1 :               0.00022150219670
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :              -0.00007884119212
                   +0 :               0.00007847895243
                   +1 :               0.00003042142902
                   +2 :               0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :               0.00008222869696
                   +0 :              -0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :              -0.00015884517770
                6p
                   -1 :              -0.00021877242616
                   +0 :              -0.00004746958958
                   +1 :              -0.00008919085440
                4f
                   -3 :               0.00040392243216
                   -2 :              -0.00007205089713
                   -1 :               0.00010418987561
                   +0 :               0.00013448557196
                   +1 :              -0.00005642192822
                   +2 :              -0.00008962319643
                   +3 :              -0.00015081759063
             13 vec=    -3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :              -0.00060602430530
                   +0 :               0.00004878771964
                   +1 :               0.00022150219670
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :               0.00007884119212
                   +0 :               0.00007847895243
                   +1 :               0.00003042142902
                   +2 :               0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :              -0.00008222869696
                   +0 :              -0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :              -0.00015884517770
                6p
                   -1 :               0.00021877242616
                   +0 :              -0.00004746958958
                   +1 :              -0.00008919085440
                4f
                   -3 :              -0.00040392243216
                   -2 :               0.00007205089713
                   -1 :              -0.00010418987561
                   +0 :               0.00013448557196
                   +1 :              -0.00005642192822
                   +2 :              -0.00008962319643
                   +3 :              -0.00015081759063
             14 vec=     3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :              -0.00060602430530
                   +0 :              -0.00004878771964
                   +1 :               0.00022150219670
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :               0.00007884119212
                   +0 :              -0.00007847895243
                   +1 :               0.00003042142902
                   +2 :              -0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :              -0.00008222869696
                   +0 :               0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :               0.00015884517770
                6p
                   -1 :               0.00021877242616
                   +0 :               0.00004746958958
                   +1 :              -0.00008919085440
                4f
                   -3 :              -0.00040392243216
                   -2 :              -0.00007205089713
                   -1 :              -0.00010418987561
                   +0 :              -0.00013448557196
                   +1 :              -0.00005642192822
                   +2 :               0.00008962319643
                   +3 :              -0.00015081759063
             15 vec=     3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :               0.00060602430530
                   +0 :              -0.00004878771964
                   +1 :               0.00022150219670
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :              -0.00007884119212
                   +0 :              -0.00007847895243
                   +1 :               0.00003042142902
                   +2 :              -0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :               0.00008222869696
                   +0 :               0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :               0.00015884517770
                6p
                   -1 :              -0.00021877242616
                   +0 :               0.00004746958958
                   +1 :              -0.00008919085440
                4f
                   -3 :               0.00040392243216
                   -2 :               0.00007205089713
                   -1 :               0.00010418987561
                   +0 :              -0.00013448557196
                   +1 :              -0.00005642192822
                   +2 :               0.00008962319643
                   +3 :              -0.00015081759063
             16 vec=    10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :               0.00017124346051
                   +0 :              -0.00008543656121
                   +1 :               0.00036492192273
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :              -0.00078485342037
                   +0 :               0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :              -0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :               0.00024504126512
                   +0 :              -0.00021313934191
                   +1 :               0.00024374758077
                   +2 :               0.00026276290625
                6p
                   -1 :               0.00017010959079
                   +0 :              -0.00003382027162
                   +1 :               0.00012778319443
                4f
                   -3 :               0.00012638213085
                   -2 :              -0.00013547449566
                   -1 :               0.00011857979787
                   +0 :               0.00039878989582
                   +1 :              -0.00031870171345
                   +2 :               0.00004026880667
                   +3 :               0.00079793906296
             17 vec=    10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :              -0.00017124346051
                   +0 :              -0.00008543656121
                   +1 :               0.00036492192273
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :               0.00078485342037
                   +0 :               0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :              -0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :              -0.00024504126512
                   +0 :              -0.00021313934191
                   +1 :               0.00024374758077
                   +2 :               0.00026276290625
                6p
                   -1 :              -0.00017010959079
                   +0 :              -0.00003382027162
                   +1 :               0.00012778319443
                4f
                   -3 :              -0.00012638213085
                   -2 :               0.00013547449566
                   -1 :              -0.00011857979787
                   +0 :               0.00039878989582
                   +1 :              -0.00031870171345
                   +2 :               0.00004026880667
                   +3 :               0.00079793906296
             18 vec=    -7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :               0.00022216113973
                   +0 :              -0.00017725308646
                   +1 :               0.00015071243216
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :              -0.00022471179411
                   +0 :              -0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :              -0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :              -0.00011480792132
                   +0 :               0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :              -0.00006142552179
                6p
                   -1 :              -0.00008952325320
                   +0 :               0.00019441966167
                   +1 :              -0.00004372398918
                4f
                   -3 :               0.00002411871341
                   -2 :              -0.00012390387366
                   -1 :               0.00010550679987
                   +0 :               0.00027945386608
                   +1 :              -0.00006014367620
                   +2 :               0.00007940382059
                   +3 :              -0.00011589640300
             19 vec=    -7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :              -0.00022216113973
                   +0 :              -0.00017725308646
                   +1 :               0.00015071243216
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :               0.00022471179411
                   +0 :              -0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :              -0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :               0.00011480792132
                   +0 :               0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :              -0.00006142552179
                6p
                   -1 :               0.00008952325320
                   +0 :               0.00019441966167
                   +1 :              -0.00004372398918
                4f
                   -3 :              -0.00002411871341
                   -2 :               0.00012390387366
                   -1 :              -0.00010550679987
                   +0 :               0.00027945386608
                   +1 :              -0.00006014367620
                   +2 :               0.00007940382059
                   +3 :              -0.00011589640300
             20 vec=     7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :              -0.00022216113973
                   +0 :               0.00017725308646
                   +1 :               0.00015071243216
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :               0.00022471179411
                   +0 :               0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :               0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :               0.00011480792132
                   +0 :              -0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :               0.00006142552179
                6p
                   -1 :               0.00008952325320
                   +0 :              -0.00019441966167
                   +1 :              -0.00004372398918
                4f
                   -3 :              -0.00002411871341
                   -2 :              -0.00012390387366
                   -1 :              -0.00010550679987
                   +0 :              -0.00027945386608
                   +1 :              -0.00006014367620
                   +2 :              -0.00007940382059
                   +3 :              -0.00011589640300
             21 vec=     7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :               0.00022216113973
                   +0 :               0.00017725308646
                   +1 :               0.00015071243216
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :              -0.00022471179411
                   +0 :               0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :               0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :              -0.00011480792132
                   +0 :              -0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :               0.00006142552179
                6p
                   -1 :              -0.00008952325320
                   +0 :              -0.00019441966167
                   +1 :              -0.00004372398918
                4f
                   -3 :               0.00002411871341
                   -2 :               0.00012390387366
                   -1 :               0.00010550679987
                   +0 :              -0.00027945386608
                   +1 :              -0.00006014367620
                   +2 :              -0.00007940382059
                   +3 :              -0.00011589640300
             22 vec=   -10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :               0.00017016962435
                   +0 :              -0.00002687112350
                   +1 :               0.00016811232457
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :              -0.00004697108333
                   +0 :              -0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :              -0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :              -0.00001446137177
                   +0 :              -0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :              -0.00000886563555
                6p
                   -1 :              -0.00009083336208
                   +0 :              -0.00001834237304
                   +1 :              -0.00002835816229
                4f
                   -3 :              -0.00000408282027
                   -2 :              -0.00003644920625
                   -1 :              -0.00001500107424
                   +0 :               0.00005012668599
                   +1 :              -0.00001028658818
                   +2 :               0.00005650957846
                   +3 :               0.00000158870205
             23 vec=   -10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :              -0.00017016962435
                   +0 :              -0.00002687112350
                   +1 :               0.00016811232457
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :               0.00004697108333
                   +0 :              -0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :              -0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :               0.00001446137177
                   +0 :              -0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :              -0.00000886563555
                6p
                   -1 :               0.00009083336208
                   +0 :              -0.00001834237304
                   +1 :              -0.00002835816229
                4f
                   -3 :               0.00000408282027
                   -2 :               0.00003644920625
                   -1 :               0.00001500107424
                   +0 :               0.00005012668599
                   +1 :              -0.00001028658818
                   +2 :               0.00005650957846
                   +3 :               0.00000158870205
             24 vec=    10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :              -0.00017016962435
                   +0 :               0.00002687112350
                   +1 :               0.00016811232457
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :               0.00004697108333
                   +0 :               0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :               0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :               0.00001446137177
                   +0 :               0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :               0.00000886563555
                6p
                   -1 :               0.00009083336208
                   +0 :               0.00001834237304
                   +1 :              -0.00002835816229
                4f
                   -3 :               0.00000408282027
                   -2 :              -0.00003644920625
                   -1 :               0.00001500107424
                   +0 :              -0.00005012668599
                   +1 :              -0.00001028658818
                   +2 :              -0.00005650957846
                   +3 :               0.00000158870205
             25 vec=    10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :               0.00017016962435
                   +0 :               0.00002687112350
                   +1 :               0.00016811232457
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :              -0.00004697108333
                   +0 :               0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :               0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :              -0.00001446137177
                   +0 :               0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :               0.00000886563555
                6p
                   -1 :              -0.00009083336208
                   +0 :               0.00001834237304
                   +1 :              -0.00002835816229
                4f
                   -3 :              -0.00000408282027
                   -2 :               0.00003644920625
                   -1 :              -0.00001500107424
                   +0 :              -0.00005012668599
                   +1 :              -0.00001028658818
                   +2 :              -0.00005650957846
                   +3 :               0.00000158870205
             26 vec=     0.000000      0.000000    -16.023305   |vec|=   16.023305
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00015403445011
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00014019334219
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00025909537148
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00011419839182
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00009235675385
                   +2 :              -0.00000000000000
                   +3 :               0.00000072643082
             27 vec=   -14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00011964639592
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00011037552913
                   +1 :              -0.00000062859138
                6s
                   +0 :              -0.00018801100992
                7s
                   +0 :               0.00001413652691
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004741540862
                   +1 :              -0.00019549229930
                   +2 :              -0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003353515715
                   +1 :               0.00009050444473
                   +2 :               0.00004031389134
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006899066649
                   +1 :               0.00004442995287
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00011912160505
                   +1 :               0.00010161769856
                   +2 :               0.00012184888737
                   +3 :              -0.00012233642772
             28 vec=     0.000000    -14.292755      9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00000000000000
                   +1 :               0.00002029642101
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00001748751090
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001555784503
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000090517243
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001951388532
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000103881662
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00001376698050
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000811986389
                   +2 :              -0.00000000000000
                   +3 :               0.00003426841897
             29 vec=     0.000000     14.292755      9.013109   |vec|=   16.897307
                5p
                   -1 :              -0.00000000000000
                   +1 :               0.00002029642101
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00001748751090
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001555784503
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000090517243
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001951388532
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000103881662
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00001376698050
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000811986389
                   +2 :               0.00000000000000
                   +3 :               0.00003426841897
             30 vec=    14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00011964639592
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00011037552913
                   +1 :              -0.00000062859138
                6s
                   +0 :               0.00018801100992
                7s
                   +0 :              -0.00001413652691
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004741540862
                   +1 :              -0.00019549229930
                   +2 :               0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003353515715
                   +1 :               0.00009050444473
                   +2 :              -0.00004031389134
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00006899066649
                   +1 :               0.00004442995287
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00011912160505
                   +1 :               0.00010161769856
                   +2 :              -0.00012184888737
                   +3 :              -0.00012233642772
             31 vec=    -7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00024364432209
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00017743878609
                   +1 :               0.00018193738811
                6s
                   +0 :               0.00026664776583
                7s
                   +0 :              -0.00005237234326
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00019236679373
                   +1 :              -0.00002289194563
                   +2 :               0.00015658988557
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00007061146374
                   +1 :               0.00014254131253
                   +2 :               0.00002934444292
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007944559001
                   +1 :              -0.00006224639916
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00006090103581
                   +1 :               0.00005182317248
                   +2 :               0.00010746244125
                   +3 :               0.00000248135807
             32 vec=     0.000000     -7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001179349420
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00002531427750
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00007553117190
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000946074812
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004315178993
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002339214795
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00001983062578
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000935794871
                   +2 :               0.00000000000000
                   +3 :               0.00000735074585
             33 vec=     0.000000      7.146377    -16.023305   |vec|=   17.544715
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001179349420
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00002531427750
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00007553117190
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000946074812
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004315178993
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002339214795
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00001983062578
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000935794871
                   +2 :               0.00000000000000
                   +3 :               0.00000735074585
             34 vec=     7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00024364432209
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00017743878609
                   +1 :               0.00018193738811
                6s
                   +0 :              -0.00026664776583
                7s
                   +0 :               0.00005237234326
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00019236679373
                   +1 :              -0.00002289194563
                   +2 :              -0.00015658988557
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007061146374
                   +1 :               0.00014254131253
                   +2 :              -0.00002934444292
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00007944559001
                   +1 :              -0.00006224639916
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00006090103581
                   +1 :               0.00005182317248
                   +2 :              -0.00010746244125
                   +3 :               0.00000248135807
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :              -0.01006943270495
                   +0 :               0.00820779043695
                   +1 :              -0.00918075911824
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :               0.00237031735017
                   +0 :               0.00141219147339
                   +1 :               0.01323861248020
                   +2 :              -0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :              -0.00047471010057
                   +0 :              -0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :               0.00023426682504
                6p
                   -1 :              -0.00089101872021
                   +0 :               0.00132402046534
                   +1 :              -0.00150686903794
                4f
                   -3 :              -0.00559523831698
                   -2 :               0.00894932894794
                   -1 :               0.00110679581476
                   +0 :              -0.00143959051890
                   +1 :              -0.00165809558427
                   +2 :               0.00423642222172
                   +3 :               0.00438320125995
              2 vec=    -3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00320836537921
                5p
                   -1 :               0.01006943270495
                   +0 :               0.00820779043695
                   +1 :              -0.00918075911824
                6s
                   +0 :               0.00085447195975
                7s
                   +0 :               0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :              -0.00237031735017
                   +0 :               0.00141219147339
                   +1 :               0.01323861248020
                   +2 :              -0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :               0.00047471010057
                   +0 :              -0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :               0.00023426682504
                6p
                   -1 :               0.00089101872021
                   +0 :               0.00132402046534
                   +1 :              -0.00150686903794
                4f
                   -3 :               0.00559523831698
                   -2 :              -0.00894932894794
                   -1 :              -0.00110679581476
                   +0 :              -0.00143959051890
                   +1 :              -0.00165809558427
                   +2 :               0.00423642222172
                   +3 :               0.00438320125995
              3 vec=     3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :               0.01006943270495
                   +0 :              -0.00820779043695
                   +1 :              -0.00918075911824
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :              -0.01289829571873
                   -1 :              -0.00237031735017
                   +0 :              -0.00141219147339
                   +1 :               0.01323861248020
                   +2 :               0.00832642425097
                6d
                   -2 :               0.00111382419907
                   -1 :               0.00047471010057
                   +0 :               0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :              -0.00023426682504
                6p
                   -1 :               0.00089101872021
                   +0 :              -0.00132402046534
                   +1 :              -0.00150686903794
                4f
                   -3 :               0.00559523831698
                   -2 :               0.00894932894794
                   -1 :              -0.00110679581476
                   +0 :               0.00143959051890
                   +1 :              -0.00165809558427
                   +2 :              -0.00423642222172
                   +3 :               0.00438320125995
              4 vec=     3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00320836537921
                5p
                   -1 :              -0.01006943270495
                   +0 :              -0.00820779043695
                   +1 :              -0.00918075911824
                6s
                   +0 :              -0.00085447195975
                7s
                   +0 :              -0.00086469863461
                5d
                   -2 :               0.01289829571873
                   -1 :               0.00237031735017
                   +0 :              -0.00141219147339
                   +1 :               0.01323861248020
                   +2 :               0.00832642425097
                6d
                   -2 :              -0.00111382419907
                   -1 :              -0.00047471010057
                   +0 :               0.00083762164130
                   +1 :              -0.00077285211073
                   +2 :              -0.00023426682504
                6p
                   -1 :              -0.00089101872021
                   +0 :              -0.00132402046534
                   +1 :              -0.00150686903794
                4f
                   -3 :              -0.00559523831698
                   -2 :              -0.00894932894794
                   -1 :               0.00110679581476
                   +0 :               0.00143959051890
                   +1 :              -0.00165809558427
                   +2 :              -0.00423642222172
                   +3 :               0.00438320125995
              5 vec=     0.000000      0.000000     -9.013109   |vec|=    9.013109
                5s
                   +0 :              -0.00000000000000
                5p
                   +0 :               0.00000000000000
                   +1 :               0.00120434408547
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00840042863155
                   +2 :               0.00000000000000
                6d
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00213710828165
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :               0.00070602537952
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00412635634967
                   +2 :              -0.00000000000000
                   +3 :               0.00035238210824
              6 vec=    -7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00037082887789
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00034415724389
                   +1 :              -0.00022496213041
                6s
                   +0 :               0.00073728670007
                7s
                   +0 :               0.00004027360594
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00219621799344
                   +1 :               0.00132027982909
                   +2 :              -0.00012371936181
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00016140266983
                   +1 :              -0.00018451115026
                   +2 :               0.00030112901203
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00025124853999
                   +1 :               0.00005440171325
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00129497146417
                   +1 :               0.00106737132042
                   +2 :               0.00002500471048
                   +3 :               0.00018668436934
              7 vec=     0.000000     -7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00021935910533
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003109963235
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00026690997072
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00007406511935
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00036032330886
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00020624881958
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00010939815685
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00024352584102
                   +2 :               0.00000000000000
                   +3 :               0.00010753998617
              8 vec=     0.000000      7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00021935910533
                5d
                   -2 :              -0.00003109963235
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00026690997072
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00007406511935
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00036032330886
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00020624881958
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00010939815685
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00024352584102
                   +2 :               0.00000000000000
                   +3 :               0.00010753998617
              9 vec=     7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00037082887789
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00034415724389
                   +1 :              -0.00022496213041
                6s
                   +0 :              -0.00073728670007
                7s
                   +0 :              -0.00004027360594
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00219621799344
                   +1 :               0.00132027982909
                   +2 :               0.00012371936181
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00016140266983
                   +1 :              -0.00018451115026
                   +2 :              -0.00030112901203
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00025124853999
                   +1 :               0.00005440171325
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00129497146417
                   +1 :               0.00106737132042
                   +2 :              -0.00002500471048
                   +3 :               0.00018668436934
             10 vec=   -10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :               0.00017124346051
                   +0 :               0.00008543656121
                   +1 :              -0.00036492192273
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :               0.00078485342037
                   +0 :               0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :              -0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :              -0.00024504126512
                   +0 :              -0.00021313934191
                   +1 :               0.00024374758077
                   +2 :               0.00026276290625
                6p
                   -1 :               0.00017010959079
                   +0 :               0.00003382027162
                   +1 :              -0.00012778319443
                4f
                   -3 :               0.00012638213085
                   -2 :              -0.00013547449566
                   -1 :               0.00011857979787
                   +0 :              -0.00039878989582
                   +1 :               0.00031870171345
                   +2 :              -0.00004026880667
                   +3 :              -0.00079793906296
             11 vec=   -10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00024579368515
                5p
                   -1 :              -0.00017124346051
                   +0 :               0.00008543656121
                   +1 :              -0.00036492192273
                6s
                   +0 :              -0.00026464949526
                7s
                   +0 :               0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :              -0.00078485342037
                   +0 :               0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :              -0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :               0.00024504126512
                   +0 :              -0.00021313934191
                   +1 :               0.00024374758077
                   +2 :               0.00026276290625
                6p
                   -1 :              -0.00017010959079
                   +0 :               0.00003382027162
                   +1 :              -0.00012778319443
                4f
                   -3 :              -0.00012638213085
                   -2 :               0.00013547449566
                   -1 :              -0.00011857979787
                   +0 :              -0.00039878989582
                   +1 :               0.00031870171345
                   +2 :              -0.00004026880667
                   +3 :              -0.00079793906296
             12 vec=    -3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :              -0.00060602430530
                   +0 :               0.00004878771964
                   +1 :              -0.00022150219670
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :              -0.00007884119212
                   +0 :              -0.00007847895243
                   +1 :               0.00003042142902
                   +2 :              -0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :               0.00008222869696
                   +0 :               0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :               0.00015884517770
                6p
                   -1 :               0.00021877242616
                   +0 :              -0.00004746958958
                   +1 :               0.00008919085440
                4f
                   -3 :              -0.00040392243216
                   -2 :              -0.00007205089713
                   -1 :              -0.00010418987561
                   +0 :               0.00013448557196
                   +1 :               0.00005642192822
                   +2 :              -0.00008962319643
                   +3 :               0.00015081759063
             13 vec=    -3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00045298350137
                5p
                   -1 :               0.00060602430530
                   +0 :               0.00004878771964
                   +1 :              -0.00022150219670
                6s
                   +0 :              -0.00051664207816
                7s
                   +0 :               0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :               0.00007884119212
                   +0 :              -0.00007847895243
                   +1 :               0.00003042142902
                   +2 :              -0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :              -0.00008222869696
                   +0 :               0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :               0.00015884517770
                6p
                   -1 :              -0.00021877242616
                   +0 :              -0.00004746958958
                   +1 :               0.00008919085440
                4f
                   -3 :               0.00040392243216
                   -2 :               0.00007205089713
                   -1 :               0.00010418987561
                   +0 :               0.00013448557196
                   +1 :               0.00005642192822
                   +2 :              -0.00008962319643
                   +3 :               0.00015081759063
             14 vec=     3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :               0.00060602430530
                   +0 :              -0.00004878771964
                   +1 :              -0.00022150219670
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :              -0.00001202131728
                   -1 :               0.00007884119212
                   +0 :               0.00007847895243
                   +1 :               0.00003042142902
                   +2 :               0.00059656030112
                6d
                   -2 :              -0.00027308566072
                   -1 :              -0.00008222869696
                   +0 :              -0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :              -0.00015884517770
                6p
                   -1 :              -0.00021877242616
                   +0 :               0.00004746958958
                   +1 :               0.00008919085440
                4f
                   -3 :               0.00040392243216
                   -2 :              -0.00007205089713
                   -1 :               0.00010418987561
                   +0 :              -0.00013448557196
                   +1 :               0.00005642192822
                   +2 :               0.00008962319643
                   +3 :               0.00015081759063
             15 vec=     3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00045298350137
                5p
                   -1 :              -0.00060602430530
                   +0 :              -0.00004878771964
                   +1 :              -0.00022150219670
                6s
                   +0 :               0.00051664207816
                7s
                   +0 :              -0.00013208506949
                5d
                   -2 :               0.00001202131728
                   -1 :              -0.00007884119212
                   +0 :               0.00007847895243
                   +1 :               0.00003042142902
                   +2 :               0.00059656030112
                6d
                   -2 :               0.00027308566072
                   -1 :               0.00008222869696
                   +0 :              -0.00007536848171
                   +1 :              -0.00006984265278
                   +2 :              -0.00015884517770
                6p
                   -1 :               0.00021877242616
                   +0 :               0.00004746958958
                   +1 :               0.00008919085440
                4f
                   -3 :              -0.00040392243216
                   -2 :               0.00007205089713
                   -1 :              -0.00010418987561
                   +0 :              -0.00013448557196
                   +1 :               0.00005642192822
                   +2 :               0.00008962319643
                   +3 :               0.00015081759063
             16 vec=    10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :              -0.00017124346051
                   +0 :              -0.00008543656121
                   +1 :              -0.00036492192273
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :               0.00089816988841
                   -1 :              -0.00078485342037
                   +0 :              -0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :               0.00121899397380
                6d
                   -2 :              -0.00014350047691
                   -1 :               0.00024504126512
                   +0 :               0.00021313934191
                   +1 :               0.00024374758077
                   +2 :              -0.00026276290625
                6p
                   -1 :              -0.00017010959079
                   +0 :              -0.00003382027162
                   +1 :              -0.00012778319443
                4f
                   -3 :              -0.00012638213085
                   -2 :              -0.00013547449566
                   -1 :              -0.00011857979787
                   +0 :               0.00039878989582
                   +1 :               0.00031870171345
                   +2 :               0.00004026880667
                   +3 :              -0.00079793906296
             17 vec=    10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00024579368515
                5p
                   -1 :               0.00017124346051
                   +0 :              -0.00008543656121
                   +1 :              -0.00036492192273
                6s
                   +0 :               0.00026464949526
                7s
                   +0 :              -0.00009982789493
                5d
                   -2 :              -0.00089816988841
                   -1 :               0.00078485342037
                   +0 :              -0.00041723087753
                   +1 :              -0.00003664864474
                   +2 :               0.00121899397380
                6d
                   -2 :               0.00014350047691
                   -1 :              -0.00024504126512
                   +0 :               0.00021313934191
                   +1 :               0.00024374758077
                   +2 :              -0.00026276290625
                6p
                   -1 :               0.00017010959079
                   +0 :              -0.00003382027162
                   +1 :              -0.00012778319443
                4f
                   -3 :               0.00012638213085
                   -2 :               0.00013547449566
                   -1 :               0.00011857979787
                   +0 :               0.00039878989582
                   +1 :               0.00031870171345
                   +2 :               0.00004026880667
                   +3 :              -0.00079793906296
             18 vec=    -7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :              -0.00022216113973
                   +0 :              -0.00017725308646
                   +1 :              -0.00015071243216
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :              -0.00022471179411
                   +0 :               0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :               0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :              -0.00011480792132
                   +0 :              -0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :               0.00006142552179
                6p
                   -1 :               0.00008952325320
                   +0 :               0.00019441966167
                   +1 :               0.00004372398918
                4f
                   -3 :              -0.00002411871341
                   -2 :              -0.00012390387366
                   -1 :              -0.00010550679987
                   +0 :               0.00027945386608
                   +1 :               0.00006014367620
                   +2 :               0.00007940382059
                   +3 :               0.00011589640300
             19 vec=    -7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00033828878011
                5p
                   -1 :               0.00022216113973
                   +0 :              -0.00017725308646
                   +1 :              -0.00015071243216
                6s
                   +0 :              -0.00012456346043
                7s
                   +0 :              -0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :               0.00022471179411
                   +0 :               0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :               0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :               0.00011480792132
                   +0 :              -0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :               0.00006142552179
                6p
                   -1 :              -0.00008952325320
                   +0 :               0.00019441966167
                   +1 :               0.00004372398918
                4f
                   -3 :               0.00002411871341
                   -2 :               0.00012390387366
                   -1 :               0.00010550679987
                   +0 :               0.00027945386608
                   +1 :               0.00006014367620
                   +2 :               0.00007940382059
                   +3 :               0.00011589640300
             20 vec=     7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :               0.00022216113973
                   +0 :               0.00017725308646
                   +1 :              -0.00015071243216
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :              -0.00044869462527
                   -1 :               0.00022471179411
                   +0 :              -0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :              -0.00007371283862
                6d
                   -2 :               0.00006706340405
                   -1 :               0.00011480792132
                   +0 :               0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :              -0.00006142552179
                6p
                   -1 :              -0.00008952325320
                   +0 :              -0.00019441966167
                   +1 :               0.00004372398918
                4f
                   -3 :               0.00002411871341
                   -2 :              -0.00012390387366
                   -1 :               0.00010550679987
                   +0 :              -0.00027945386608
                   +1 :               0.00006014367620
                   +2 :              -0.00007940382059
                   +3 :               0.00011589640300
             21 vec=     7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00033828878011
                5p
                   -1 :              -0.00022216113973
                   +0 :               0.00017725308646
                   +1 :              -0.00015071243216
                6s
                   +0 :               0.00012456346043
                7s
                   +0 :               0.00002099648025
                5d
                   -2 :               0.00044869462527
                   -1 :              -0.00022471179411
                   +0 :              -0.00058209000798
                   +1 :              -0.00012874318718
                   +2 :              -0.00007371283862
                6d
                   -2 :              -0.00006706340405
                   -1 :              -0.00011480792132
                   +0 :               0.00015767359678
                   +1 :              -0.00000927835155
                   +2 :              -0.00006142552179
                6p
                   -1 :               0.00008952325320
                   +0 :              -0.00019441966167
                   +1 :               0.00004372398918
                4f
                   -3 :              -0.00002411871341
                   -2 :               0.00012390387366
                   -1 :              -0.00010550679987
                   +0 :              -0.00027945386608
                   +1 :               0.00006014367620
                   +2 :              -0.00007940382059
                   +3 :               0.00011589640300
             22 vec=   -10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :              -0.00017016962435
                   +0 :              -0.00002687112350
                   +1 :              -0.00016811232457
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :              -0.00004697108333
                   +0 :               0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :               0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :              -0.00001446137177
                   +0 :               0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :               0.00000886563555
                6p
                   -1 :               0.00009083336208
                   +0 :              -0.00001834237304
                   +1 :               0.00002835816229
                4f
                   -3 :               0.00000408282027
                   -2 :              -0.00003644920625
                   -1 :               0.00001500107424
                   +0 :               0.00005012668599
                   +1 :               0.00001028658818
                   +2 :               0.00005650957846
                   +3 :              -0.00000158870205
             23 vec=   -10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00026846076227
                5p
                   -1 :               0.00017016962435
                   +0 :              -0.00002687112350
                   +1 :              -0.00016811232457
                6s
                   +0 :              -0.00027009850454
                7s
                   +0 :               0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :               0.00004697108333
                   +0 :               0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :               0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :               0.00001446137177
                   +0 :               0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :               0.00000886563555
                6p
                   -1 :              -0.00009083336208
                   +0 :              -0.00001834237304
                   +1 :               0.00002835816229
                4f
                   -3 :              -0.00000408282027
                   -2 :               0.00003644920625
                   -1 :              -0.00001500107424
                   +0 :               0.00005012668599
                   +1 :               0.00001028658818
                   +2 :               0.00005650957846
                   +3 :              -0.00000158870205
             24 vec=    10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :               0.00017016962435
                   +0 :               0.00002687112350
                   +1 :              -0.00016811232457
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :               0.00000890428999
                   -1 :               0.00004697108333
                   +0 :              -0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :              -0.00002217266876
                6d
                   -2 :              -0.00015288541181
                   -1 :               0.00001446137177
                   +0 :              -0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :              -0.00000886563555
                6p
                   -1 :              -0.00009083336208
                   +0 :               0.00001834237304
                   +1 :               0.00002835816229
                4f
                   -3 :              -0.00000408282027
                   -2 :              -0.00003644920625
                   -1 :              -0.00001500107424
                   +0 :              -0.00005012668599
                   +1 :               0.00001028658818
                   +2 :              -0.00005650957846
                   +3 :              -0.00000158870205
             25 vec=    10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00026846076227
                5p
                   -1 :              -0.00017016962435
                   +0 :               0.00002687112350
                   +1 :              -0.00016811232457
                6s
                   +0 :               0.00027009850454
                7s
                   +0 :              -0.00008846274265
                5d
                   -2 :              -0.00000890428999
                   -1 :              -0.00004697108333
                   +0 :              -0.00001375607359
                   +1 :              -0.00016969676760
                   +2 :              -0.00002217266876
                6d
                   -2 :               0.00015288541181
                   -1 :              -0.00001446137177
                   +0 :              -0.00007452822599
                   +1 :              -0.00001360298741
                   +2 :              -0.00000886563555
                6p
                   -1 :               0.00009083336208
                   +0 :               0.00001834237304
                   +1 :               0.00002835816229
                4f
                   -3 :               0.00000408282027
                   -2 :               0.00003644920625
                   -1 :               0.00001500107424
                   +0 :              -0.00005012668599
                   +1 :               0.00001028658818
                   +2 :              -0.00005650957846
                   +3 :              -0.00000158870205
             26 vec=     0.000000      0.000000     16.023305   |vec|=   16.023305
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00015403445011
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00014019334219
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00025909537148
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011419839182
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00009235675385
                   +2 :               0.00000000000000
                   +3 :              -0.00000072643082
             27 vec=   -14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00011964639592
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00011037552913
                   +1 :               0.00000062859138
                6s
                   +0 :               0.00018801100992
                7s
                   +0 :              -0.00001413652691
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004741540862
                   +1 :              -0.00019549229930
                   +2 :               0.00034011021283
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003353515715
                   +1 :               0.00009050444473
                   +2 :              -0.00004031389134
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00006899066649
                   +1 :              -0.00004442995287
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00011912160505
                   +1 :              -0.00010161769856
                   +2 :               0.00012184888737
                   +3 :               0.00012233642772
             28 vec=     0.000000    -14.292755     -9.013109   |vec|=   16.897307
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002029642101
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00001748751090
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001555784503
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000090517243
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001951388532
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000103881662
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00001376698050
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000811986389
                   +2 :              -0.00000000000000
                   +3 :              -0.00003426841897
             29 vec=     0.000000     14.292755     -9.013109   |vec|=   16.897307
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002029642101
                5d
                   -2 :               0.00001748751090
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001555784503
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000090517243
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001951388532
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000103881662
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00001376698050
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000811986389
                   +2 :               0.00000000000000
                   +3 :              -0.00003426841897
             30 vec=    14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00011964639592
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00011037552913
                   +1 :               0.00000062859138
                6s
                   +0 :              -0.00018801100992
                7s
                   +0 :               0.00001413652691
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004741540862
                   +1 :              -0.00019549229930
                   +2 :              -0.00034011021283
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003353515715
                   +1 :               0.00009050444473
                   +2 :               0.00004031389134
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00006899066649
                   +1 :              -0.00004442995287
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011912160505
                   +1 :              -0.00010161769856
                   +2 :              -0.00012184888737
                   +3 :               0.00012233642772
             31 vec=    -7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00024364432209
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00017743878609
                   +1 :              -0.00018193738811
                6s
                   +0 :              -0.00026664776583
                7s
                   +0 :               0.00005237234326
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00019236679373
                   +1 :              -0.00002289194563
                   +2 :              -0.00015658988557
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007061146374
                   +1 :               0.00014254131253
                   +2 :              -0.00002934444292
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00007944559001
                   +1 :               0.00006224639916
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00006090103581
                   +1 :              -0.00005182317248
                   +2 :               0.00010746244125
                   +3 :              -0.00000248135807
             32 vec=     0.000000     -7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001179349420
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00002531427750
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00007553117190
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000946074812
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004315178993
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002339214795
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00001983062578
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000935794871
                   +2 :              -0.00000000000000
                   +3 :              -0.00000735074585
             33 vec=     0.000000      7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001179349420
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00002531427750
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00007553117190
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000946074812
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004315178993
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002339214795
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00001983062578
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000935794871
                   +2 :              -0.00000000000000
                   +3 :              -0.00000735074585
             34 vec=     7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00024364432209
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00017743878609
                   +1 :              -0.00018193738811
                6s
                   +0 :               0.00026664776583
                7s
                   +0 :              -0.00005237234326
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00019236679373
                   +1 :              -0.00002289194563
                   +2 :               0.00015658988557
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00007061146374
                   +1 :               0.00014254131253
                   +2 :               0.00002934444292
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00007944559001
                   +1 :               0.00006224639916
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00006090103581
                   +1 :              -0.00005182317248
                   +2 :              -0.00010746244125
                   +3 :              -0.00000248135807
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site Cu(  3)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3p
                   -1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.99617301877050
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.01072916641205
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00069147699398
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :              -0.00509110101092
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00222850736068
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.01163783776400
                   +1 :               0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005675183415
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00010447893428
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005675183415
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00010447893428
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00069147699398
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :              -0.00509110101092
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00222850736068
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.01163783776400
                   +1 :              -0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00013899399786
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00052394206229
                   +0 :              -0.00000000000000
                   +1 :               0.00010777054221
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00015546936038
                   +1 :               0.00003445817065
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00045883720041
                   +1 :              -0.00000000000000
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00013899399786
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00052394206229
                   +1 :               0.00010777054221
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00015546936038
                   +0 :               0.00000000000000
                   +1 :               0.00003445817065
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00045883720041
                   +1 :              -0.00000000000000
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00013899399786
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00052394206229
                   +0 :               0.00000000000000
                   +1 :               0.00010777054221
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00015546936038
                   +0 :              -0.00000000000000
                   +1 :               0.00003445817065
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00045883720041
                   +1 :               0.00000000000000
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00013899399786
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00052394206229
                   +0 :              -0.00000000000000
                   +1 :               0.00010777054221
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00015546936038
                   +0 :               0.00000000000000
                   +1 :               0.00003445817065
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00045883720041
                   +1 :               0.00000000000000
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :              -0.00002754507454
                   +0 :              -0.00006403194999
                   +1 :              -0.00008958330180
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :              -0.00006441029683
                   +0 :              -0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :               0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :              -0.00000858627072
                   +0 :              -0.00000681739613
                   +1 :               0.00000980743582
                   +2 :               0.00002065907955
                4p
                   -1 :               0.00007703067121
                   +0 :               0.00017000373201
                   +1 :               0.00020457605638
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :               0.00002754507454
                   +0 :              -0.00006403194999
                   +1 :               0.00008958330180
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :              -0.00006441029683
                   +0 :               0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :              -0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :              -0.00000858627072
                   +0 :               0.00000681739613
                   +1 :               0.00000980743582
                   +2 :              -0.00002065907955
                4p
                   -1 :              -0.00007703067121
                   +0 :               0.00017000373201
                   +1 :              -0.00020457605638
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :               0.00002754507454
                   +0 :              -0.00006403194999
                   +1 :              -0.00008958330180
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :               0.00006441029683
                   +0 :              -0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :               0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :               0.00000858627072
                   +0 :              -0.00000681739613
                   +1 :               0.00000980743582
                   +2 :               0.00002065907955
                4p
                   -1 :              -0.00007703067121
                   +0 :               0.00017000373201
                   +1 :               0.00020457605638
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :              -0.00002754507454
                   +0 :              -0.00006403194999
                   +1 :               0.00008958330180
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :               0.00006441029683
                   +0 :               0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :              -0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :               0.00000858627072
                   +0 :               0.00000681739613
                   +1 :               0.00000980743582
                   +2 :              -0.00002065907955
                4p
                   -1 :               0.00007703067121
                   +0 :               0.00017000373201
                   +1 :              -0.00020457605638
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :               0.00002754507454
                   +0 :               0.00006403194999
                   +1 :              -0.00008958330180
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :               0.00006441029683
                   +0 :               0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :              -0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :               0.00000858627072
                   +0 :               0.00000681739613
                   +1 :               0.00000980743582
                   +2 :              -0.00002065907955
                4p
                   -1 :              -0.00007703067121
                   +0 :              -0.00017000373201
                   +1 :               0.00020457605638
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :              -0.00002754507454
                   +0 :               0.00006403194999
                   +1 :               0.00008958330180
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :               0.00006441029683
                   +0 :              -0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :               0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :               0.00000858627072
                   +0 :              -0.00000681739613
                   +1 :               0.00000980743582
                   +2 :               0.00002065907955
                4p
                   -1 :               0.00007703067121
                   +0 :              -0.00017000373201
                   +1 :              -0.00020457605638
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00011313255448
                3p
                   -1 :              -0.00002754507454
                   +0 :               0.00006403194999
                   +1 :              -0.00008958330180
                4s
                   +0 :               0.00001732368711
                5s
                   +0 :               0.00013996626511
                3d
                   -2 :              -0.00002743899133
                   -1 :              -0.00006441029683
                   +0 :               0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :              -0.00003382866303
                4d
                   -2 :               0.00002960971767
                   -1 :              -0.00000858627072
                   +0 :               0.00000681739613
                   +1 :               0.00000980743582
                   +2 :              -0.00002065907955
                4p
                   -1 :               0.00007703067121
                   +0 :              -0.00017000373201
                   +1 :               0.00020457605638
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00011313255448
                3p
                   -1 :               0.00002754507454
                   +0 :               0.00006403194999
                   +1 :               0.00008958330180
                4s
                   +0 :              -0.00001732368711
                5s
                   +0 :              -0.00013996626511
                3d
                   -2 :               0.00002743899133
                   -1 :              -0.00006441029683
                   +0 :              -0.00007828957558
                   +1 :              -0.00035630086399
                   +2 :               0.00003382866303
                4d
                   -2 :              -0.00002960971767
                   -1 :              -0.00000858627072
                   +0 :              -0.00000681739613
                   +1 :               0.00000980743582
                   +2 :               0.00002065907955
                4p
                   -1 :              -0.00007703067121
                   +0 :              -0.00017000373201
                   +1 :              -0.00020457605638
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000795845256
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00051144275449
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00001463754297
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00044547711844
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002562264681
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00004615544213
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002562264681
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00004615544213
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000795845256
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00051144275449
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00001463754297
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00044547711844
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                3p
                   +0 :              -0.00000052128047
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00012861350454
                   +0 :              -0.00000000000000
                   +1 :              -0.00003038419460
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001999722337
                   +1 :              -0.00003302352709
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00006229686849
                   +1 :              -0.00000000000000
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000052128047
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00012861350454
                   +0 :               0.00000000000000
                   +1 :              -0.00003038419460
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001999722337
                   +1 :              -0.00003302352709
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00006229686849
                   +1 :              -0.00000000000000
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000991770997
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00008419868768
                   +0 :               0.00000000000000
                   +1 :               0.00001537655593
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000486486878
                   +1 :               0.00001776637475
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00003871358898
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000991770997
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00008419868768
                   +0 :              -0.00000000000000
                   +1 :               0.00001537655593
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000486486878
                   +0 :              -0.00000000000000
                   +1 :               0.00001776637475
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00003871358898
                   +1 :               0.00000000000000
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000991770997
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00008419868768
                   +1 :               0.00001537655593
                   +2 :              -0.00000000000000
                4d
                   -1 :              -0.00000486486878
                   +0 :               0.00000000000000
                   +1 :               0.00001776637475
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00003871358898
                   +1 :              -0.00000000000000
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000991770997
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00008419868768
                   +0 :               0.00000000000000
                   +1 :               0.00001537655593
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000486486878
                   +0 :               0.00000000000000
                   +1 :               0.00001776637475
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00003871358898
                   +1 :               0.00000000000000
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000052128047
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00012861350454
                   +0 :               0.00000000000000
                   +1 :              -0.00003038419460
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001999722337
                   +1 :              -0.00003302352709
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00006229686849
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                3p
                   +0 :               0.00000052128047
                   +1 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00012861350454
                   +1 :              -0.00003038419460
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001999722337
                   +1 :              -0.00003302352709
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006229686849
                   +1 :               0.00000000000000
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :               0.00000487247455
                   +0 :              -0.00001177226772
                   +1 :              -0.00000274391774
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :              -0.00000603092334
                   +0 :               0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :               0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :              -0.00000055333463
                   +0 :              -0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :              -0.00000075526436
                4p
                   -1 :               0.00001734252947
                   +0 :               0.00004753242741
                   +1 :               0.00002092625745
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :              -0.00000487247455
                   +0 :              -0.00001177226772
                   +1 :               0.00000274391774
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :              -0.00000603092334
                   +0 :              -0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :              -0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :              -0.00000055333463
                   +0 :               0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :               0.00000075526436
                4p
                   -1 :              -0.00001734252947
                   +0 :               0.00004753242741
                   +1 :              -0.00002092625745
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :              -0.00000487247455
                   +0 :              -0.00001177226772
                   +1 :              -0.00000274391774
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :               0.00000603092334
                   +0 :               0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :               0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :               0.00000055333463
                   +0 :              -0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :              -0.00000075526436
                4p
                   -1 :              -0.00001734252947
                   +0 :               0.00004753242741
                   +1 :               0.00002092625745
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :               0.00000487247455
                   +0 :              -0.00001177226772
                   +1 :               0.00000274391774
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :               0.00000603092334
                   +0 :              -0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :              -0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :               0.00000055333463
                   +0 :               0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :               0.00000075526436
                4p
                   -1 :               0.00001734252947
                   +0 :               0.00004753242741
                   +1 :              -0.00002092625745
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :              -0.00001352470105
                   +0 :              -0.00000231971774
                   +1 :               0.00000252679140
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :              -0.00000041721409
                   +0 :              -0.00000934656863
                   +1 :               0.00000976689347
                   +2 :              -0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :               0.00001103619081
                   +0 :               0.00000141091475
                   +1 :               0.00001120552854
                   +2 :               0.00000252702028
                4p
                   -1 :               0.00000304303939
                   +0 :               0.00000166176689
                   +1 :               0.00000045737036
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :               0.00001352470105
                   +0 :              -0.00000231971774
                   +1 :              -0.00000252679140
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :              -0.00000041721409
                   +0 :               0.00000934656863
                   +1 :               0.00000976689347
                   +2 :               0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :               0.00001103619081
                   +0 :              -0.00000141091475
                   +1 :               0.00001120552854
                   +2 :              -0.00000252702028
                4p
                   -1 :              -0.00000304303939
                   +0 :               0.00000166176689
                   +1 :              -0.00000045737036
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :               0.00001352470105
                   +0 :              -0.00000231971774
                   +1 :               0.00000252679140
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :               0.00000041721409
                   +0 :              -0.00000934656863
                   +1 :               0.00000976689347
                   +2 :              -0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :              -0.00001103619081
                   +0 :               0.00000141091475
                   +1 :               0.00001120552854
                   +2 :               0.00000252702028
                4p
                   -1 :              -0.00000304303939
                   +0 :               0.00000166176689
                   +1 :               0.00000045737036
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :              -0.00001352470105
                   +0 :              -0.00000231971774
                   +1 :              -0.00000252679140
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :               0.00000041721409
                   +0 :               0.00000934656863
                   +1 :               0.00000976689347
                   +2 :               0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :              -0.00001103619081
                   +0 :              -0.00000141091475
                   +1 :               0.00001120552854
                   +2 :              -0.00000252702028
                4p
                   -1 :               0.00000304303939
                   +0 :               0.00000166176689
                   +1 :              -0.00000045737036
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :               0.00001352470105
                   +0 :               0.00000231971774
                   +1 :               0.00000252679140
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :               0.00000041721409
                   +0 :               0.00000934656863
                   +1 :               0.00000976689347
                   +2 :               0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :              -0.00001103619081
                   +0 :              -0.00000141091475
                   +1 :               0.00001120552854
                   +2 :              -0.00000252702028
                4p
                   -1 :              -0.00000304303939
                   +0 :              -0.00000166176689
                   +1 :               0.00000045737036
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :              -0.00001352470105
                   +0 :               0.00000231971774
                   +1 :              -0.00000252679140
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :               0.00000041721409
                   +0 :              -0.00000934656863
                   +1 :               0.00000976689347
                   +2 :              -0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :              -0.00001103619081
                   +0 :               0.00000141091475
                   +1 :               0.00001120552854
                   +2 :               0.00000252702028
                4p
                   -1 :               0.00000304303939
                   +0 :              -0.00000166176689
                   +1 :              -0.00000045737036
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00000134654095
                3p
                   -1 :              -0.00001352470105
                   +0 :               0.00000231971774
                   +1 :               0.00000252679140
                4s
                   +0 :              -0.00012733386297
                5s
                   +0 :               0.00007410176744
                3d
                   -2 :               0.00000144391927
                   -1 :              -0.00000041721409
                   +0 :               0.00000934656863
                   +1 :               0.00000976689347
                   +2 :               0.00002323885614
                4d
                   -2 :              -0.00000520454576
                   -1 :               0.00001103619081
                   +0 :              -0.00000141091475
                   +1 :               0.00001120552854
                   +2 :              -0.00000252702028
                4p
                   -1 :               0.00000304303939
                   +0 :              -0.00000166176689
                   +1 :               0.00000045737036
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00000134654095
                3p
                   -1 :               0.00001352470105
                   +0 :               0.00000231971774
                   +1 :              -0.00000252679140
                4s
                   +0 :               0.00012733386297
                5s
                   +0 :              -0.00007410176744
                3d
                   -2 :              -0.00000144391927
                   -1 :              -0.00000041721409
                   +0 :              -0.00000934656863
                   +1 :               0.00000976689347
                   +2 :              -0.00002323885614
                4d
                   -2 :               0.00000520454576
                   -1 :               0.00001103619081
                   +0 :               0.00000141091475
                   +1 :               0.00001120552854
                   +2 :               0.00000252702028
                4p
                   -1 :              -0.00000304303939
                   +0 :              -0.00000166176689
                   +1 :              -0.00000045737036
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :              -0.00000487247455
                   +0 :               0.00001177226772
                   +1 :              -0.00000274391774
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :               0.00000603092334
                   +0 :              -0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :              -0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :               0.00000055333463
                   +0 :               0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :               0.00000075526436
                4p
                   -1 :              -0.00001734252947
                   +0 :              -0.00004753242741
                   +1 :               0.00002092625745
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :               0.00000487247455
                   +0 :               0.00001177226772
                   +1 :               0.00000274391774
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :               0.00000603092334
                   +0 :               0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :               0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :               0.00000055333463
                   +0 :              -0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :              -0.00000075526436
                4p
                   -1 :               0.00001734252947
                   +0 :              -0.00004753242741
                   +1 :              -0.00002092625745
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00002794373809
                3p
                   -1 :               0.00000487247455
                   +0 :               0.00001177226772
                   +1 :              -0.00000274391774
                4s
                   +0 :               0.00004856164866
                5s
                   +0 :              -0.00000441501502
                3d
                   -2 :               0.00003336238951
                   -1 :              -0.00000603092334
                   +0 :              -0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :              -0.00000406316643
                4d
                   -2 :              -0.00000444831818
                   -1 :              -0.00000055333463
                   +0 :               0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :               0.00000075526436
                4p
                   -1 :               0.00001734252947
                   +0 :              -0.00004753242741
                   +1 :               0.00002092625745
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00002794373809
                3p
                   -1 :              -0.00000487247455
                   +0 :               0.00001177226772
                   +1 :               0.00000274391774
                4s
                   +0 :              -0.00004856164866
                5s
                   +0 :               0.00000441501502
                3d
                   -2 :              -0.00003336238951
                   -1 :              -0.00000603092334
                   +0 :               0.00001029792823
                   +1 :              -0.00002653766887
                   +2 :               0.00000406316643
                4d
                   -2 :               0.00000444831818
                   -1 :              -0.00000055333463
                   +0 :              -0.00000632123595
                   +1 :              -0.00002238603840
                   +2 :              -0.00000075526436
                4p
                   -1 :              -0.00001734252947
                   +0 :              -0.00004753242741
                   +1 :              -0.00002092625745
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site O (  4)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00166143445240
                   +2 :               0.00000000000000
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00166143445240
                   +2 :              -0.00000000000000
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00343175037627
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00171688388163
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00028199369001
                   +0 :               0.00000000000000
                   +1 :              -0.00010428690293
                   +2 :               0.00000000000000
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00343175037627
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00171688388163
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00028199369001
                   +0 :               0.00000000000000
                   +1 :              -0.00010428690293
                   +2 :               0.00000000000000
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00343175037627
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00171688388163
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00028199369001
                   +0 :              -0.00000000000000
                   +1 :              -0.00010428690293
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00343175037627
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00171688388163
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00028199369001
                   +0 :               0.00000000000000
                   +1 :              -0.00010428690293
                   +2 :               0.00000000000000
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                2p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001236372163
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                2p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001236372163
                   +2 :               0.00000000000000
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00029460532576
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00005587021397
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000947000738
                   +0 :              -0.00000000000000
                   +1 :              -0.00000960927186
                   +2 :               0.00000000000000
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00029460532576
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00005587021397
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000947000738
                   +0 :               0.00000000000000
                   +1 :              -0.00000960927186
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00029460532576
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00005587021397
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000947000738
                   +0 :              -0.00000000000000
                   +1 :              -0.00000960927186
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00029460532576
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00005587021397
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000947000738
                   +1 :              -0.00000960927186
                   +2 :               0.00000000000000
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00004954123160
                2s
                   +0 :               0.00082030342578
                3s
                   +0 :              -0.00043929563457
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00101032768561
                   +1 :              -0.00181571899129
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00052150583414
                   +1 :               0.00108250281844
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000551075415
                   +1 :              -0.00012882174129
                   +2 :              -0.00005477696764
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00004954123160
                2s
                   +0 :              -0.00082030342578
                3s
                   +0 :               0.00043929563457
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00101032768561
                   +1 :               0.00181571899129
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00052150583414
                   +1 :              -0.00108250281844
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000551075415
                   +1 :              -0.00012882174129
                   +2 :               0.00005477696764
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00004954123160
                2s
                   +0 :              -0.00082030342578
                3s
                   +0 :               0.00043929563457
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00101032768561
                   +1 :              -0.00181571899129
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00052150583414
                   +1 :               0.00108250281844
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000551075415
                   +1 :              -0.00012882174129
                   +2 :               0.00005477696764
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00004954123160
                2s
                   +0 :               0.00082030342578
                3s
                   +0 :              -0.00043929563457
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00101032768561
                   +1 :               0.00181571899129
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00052150583414
                   +1 :              -0.00108250281844
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000551075415
                   +1 :              -0.00012882174129
                   +2 :              -0.00005477696764
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00041412661597
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00024914644355
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000916848136
                   +0 :              -0.00000000000000
                   +1 :               0.00002574462540
                   +2 :               0.00000000000000
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00041412661597
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00024914644355
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000916848136
                   +0 :              -0.00000000000000
                   +1 :               0.00002574462540
                   +2 :              -0.00000000000000
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00041412661597
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00024914644355
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000916848136
                   +0 :              -0.00000000000000
                   +1 :               0.00002574462540
                   +2 :               0.00000000000000
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00041412661597
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00024914644355
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000916848136
                   +1 :               0.00002574462540
                   +2 :               0.00000000000000
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :               0.00008850856614
                   +0 :              -0.00003337086536
                   +1 :              -0.00000151149746
                3p
                   -1 :              -0.00003667913165
                   +0 :               0.00005860776145
                   +1 :               0.00007616456683
                3d
                   -2 :               0.00000046010992
                   -1 :               0.00000217705278
                   +0 :              -0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :              -0.00000649327046
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :              -0.00008850856614
                   +0 :              -0.00003337086536
                   +1 :               0.00000151149746
                3p
                   -1 :               0.00003667913165
                   +0 :               0.00005860776145
                   +1 :              -0.00007616456683
                3d
                   -2 :              -0.00000046010992
                   -1 :               0.00000217705278
                   +0 :               0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :               0.00000649327046
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :              -0.00008850856614
                   +0 :              -0.00003337086536
                   +1 :              -0.00000151149746
                3p
                   -1 :               0.00003667913165
                   +0 :               0.00005860776145
                   +1 :               0.00007616456683
                3d
                   -2 :              -0.00000046010992
                   -1 :              -0.00000217705278
                   +0 :              -0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :              -0.00000649327046
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :               0.00008850856614
                   +0 :              -0.00003337086536
                   +1 :               0.00000151149746
                3p
                   -1 :              -0.00003667913165
                   +0 :               0.00005860776145
                   +1 :              -0.00007616456683
                3d
                   -2 :               0.00000046010992
                   -1 :              -0.00000217705278
                   +0 :               0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :               0.00000649327046
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :              -0.00008850856614
                   +0 :               0.00003337086536
                   +1 :              -0.00000151149746
                3p
                   -1 :               0.00003667913165
                   +0 :              -0.00005860776145
                   +1 :               0.00007616456683
                3d
                   -2 :               0.00000046010992
                   -1 :              -0.00000217705278
                   +0 :               0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :               0.00000649327046
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :               0.00008850856614
                   +0 :               0.00003337086536
                   +1 :               0.00000151149746
                3p
                   -1 :              -0.00003667913165
                   +0 :              -0.00005860776145
                   +1 :              -0.00007616456683
                3d
                   -2 :              -0.00000046010992
                   -1 :              -0.00000217705278
                   +0 :              -0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :              -0.00000649327046
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00000539995478
                2s
                   +0 :               0.00007330955020
                3s
                   +0 :               0.00004931895290
                2p
                   -1 :               0.00008850856614
                   +0 :               0.00003337086536
                   +1 :              -0.00000151149746
                3p
                   -1 :              -0.00003667913165
                   +0 :              -0.00005860776145
                   +1 :               0.00007616456683
                3d
                   -2 :              -0.00000046010992
                   -1 :               0.00000217705278
                   +0 :               0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :               0.00000649327046
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00000539995478
                2s
                   +0 :              -0.00007330955020
                3s
                   +0 :              -0.00004931895290
                2p
                   -1 :              -0.00008850856614
                   +0 :               0.00003337086536
                   +1 :               0.00000151149746
                3p
                   -1 :               0.00003667913165
                   +0 :              -0.00005860776145
                   +1 :              -0.00007616456683
                3d
                   -2 :               0.00000046010992
                   -1 :               0.00000217705278
                   +0 :              -0.00000001583368
                   +1 :              -0.00001907215843
                   +2 :              -0.00000649327046
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000570691391
                2s
                   +0 :               0.00004466354430
                3s
                   +0 :              -0.00002631190824
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012489992599
                   +1 :               0.00022737697451
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000735548755
                   +1 :              -0.00004672406701
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001310404848
                   +1 :               0.00000110342730
                   +2 :              -0.00001061444001
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000570691391
                2s
                   +0 :              -0.00004466354430
                3s
                   +0 :               0.00002631190824
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00012489992599
                   +1 :              -0.00022737697451
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000735548755
                   +1 :               0.00004672406701
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001310404848
                   +1 :               0.00000110342730
                   +2 :               0.00001061444001
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000570691391
                2s
                   +0 :              -0.00004466354430
                3s
                   +0 :               0.00002631190824
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00012489992599
                   +1 :               0.00022737697451
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000735548755
                   +1 :              -0.00004672406701
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001310404848
                   +1 :               0.00000110342730
                   +2 :               0.00001061444001
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000570691391
                2s
                   +0 :               0.00004466354430
                3s
                   +0 :              -0.00002631190824
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012489992599
                   +1 :              -0.00022737697451
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000735548755
                   +1 :               0.00004672406701
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001310404848
                   +1 :               0.00000110342730
                   +2 :              -0.00001061444001
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00002522146717
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00004824376448
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000379184545
                   +1 :              -0.00001238908162
                   +2 :              -0.00000000000000
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00002522146717
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00004824376448
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000379184545
                   +0 :              -0.00000000000000
                   +1 :              -0.00001238908162
                   +2 :              -0.00000000000000
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000319185061
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000319185061
                   +2 :              -0.00000000000000
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00002522146717
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004824376448
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000379184545
                   +0 :               0.00000000000000
                   +1 :              -0.00001238908162
                   +2 :              -0.00000000000000
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00002522146717
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004824376448
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000379184545
                   +1 :              -0.00001238908162
                   +2 :              -0.00000000000000
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :               0.00000843156165
                   +0 :               0.00006074800626
                   +1 :              -0.00000350407114
                3p
                   -1 :              -0.00000362163777
                   +0 :              -0.00001091075770
                   +1 :               0.00000830940262
                3d
                   -2 :               0.00000135414077
                   -1 :               0.00000169930368
                   +0 :               0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :              -0.00000243558259
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :              -0.00000843156165
                   +0 :               0.00006074800626
                   +1 :               0.00000350407114
                3p
                   -1 :               0.00000362163777
                   +0 :              -0.00001091075770
                   +1 :              -0.00000830940262
                3d
                   -2 :              -0.00000135414077
                   -1 :               0.00000169930368
                   +0 :              -0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :               0.00000243558259
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :              -0.00000843156165
                   +0 :               0.00006074800626
                   +1 :              -0.00000350407114
                3p
                   -1 :               0.00000362163777
                   +0 :              -0.00001091075770
                   +1 :               0.00000830940262
                3d
                   -2 :              -0.00000135414077
                   -1 :              -0.00000169930368
                   +0 :               0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :              -0.00000243558259
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :               0.00000843156165
                   +0 :               0.00006074800626
                   +1 :               0.00000350407114
                3p
                   -1 :              -0.00000362163777
                   +0 :              -0.00001091075770
                   +1 :              -0.00000830940262
                3d
                   -2 :               0.00000135414077
                   -1 :              -0.00000169930368
                   +0 :              -0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :               0.00000243558259
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :              -0.00000843156165
                   +0 :              -0.00006074800626
                   +1 :              -0.00000350407114
                3p
                   -1 :               0.00000362163777
                   +0 :               0.00001091075770
                   +1 :               0.00000830940262
                3d
                   -2 :               0.00000135414077
                   -1 :              -0.00000169930368
                   +0 :              -0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :               0.00000243558259
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :               0.00000843156165
                   +0 :              -0.00006074800626
                   +1 :               0.00000350407114
                3p
                   -1 :              -0.00000362163777
                   +0 :               0.00001091075770
                   +1 :              -0.00000830940262
                3d
                   -2 :              -0.00000135414077
                   -1 :              -0.00000169930368
                   +0 :               0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :              -0.00000243558259
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000045336737
                2s
                   +0 :               0.00001296256403
                3s
                   +0 :               0.00001198726616
                2p
                   -1 :               0.00000843156165
                   +0 :              -0.00006074800626
                   +1 :              -0.00000350407114
                3p
                   -1 :              -0.00000362163777
                   +0 :               0.00001091075770
                   +1 :               0.00000830940262
                3d
                   -2 :              -0.00000135414077
                   -1 :               0.00000169930368
                   +0 :              -0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :               0.00000243558259
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000045336737
                2s
                   +0 :              -0.00001296256403
                3s
                   +0 :              -0.00001198726616
                2p
                   -1 :              -0.00000843156165
                   +0 :              -0.00006074800626
                   +1 :               0.00000350407114
                3p
                   -1 :               0.00000362163777
                   +0 :               0.00001091075770
                   +1 :              -0.00000830940262
                3d
                   -2 :               0.00000135414077
                   -1 :               0.00000169930368
                   +0 :               0.00000353537492
                   +1 :              -0.00000687678660
                   +2 :              -0.00000243558259
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site O (  5)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.02877103038574
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00798826140686
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00869641635092
                   +2 :               0.00000000000000
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.02877103038574
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00798826140686
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00869641635092
                   +2 :               0.00000000000000
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00252586188284
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00114098499513
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00016904614061
                   +0 :              -0.00000000000000
                   +1 :               0.00001903793498
                   +2 :               0.00000000000000
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00252586188284
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00114098499513
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00016904614061
                   +0 :               0.00000000000000
                   +1 :               0.00001903793498
                   +2 :              -0.00000000000000
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00252586188284
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00114098499513
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00016904614061
                   +1 :               0.00001903793498
                   +2 :              -0.00000000000000
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00252586188284
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00114098499513
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00016904614061
                   +0 :              -0.00000000000000
                   +1 :               0.00001903793498
                   +2 :               0.00000000000000
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00201344813813
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00051666254346
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00019472229094
                   +2 :              -0.00000000000000
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00201344813813
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00051666254346
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00019472229094
                   +2 :              -0.00000000000000
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00046377307516
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00033791009115
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00005490516871
                   +0 :              -0.00000000000000
                   +1 :              -0.00001100482911
                   +2 :               0.00000000000000
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00046377307516
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00033791009115
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00005490516871
                   +0 :              -0.00000000000000
                   +1 :              -0.00001100482911
                   +2 :               0.00000000000000
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00046377307516
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00033791009115
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00005490516871
                   +0 :               0.00000000000000
                   +1 :              -0.00001100482911
                   +2 :               0.00000000000000
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00046377307516
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00033791009115
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00005490516871
                   +0 :               0.00000000000000
                   +1 :              -0.00001100482911
                   +2 :               0.00000000000000
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00056798998589
                3p
                   -1 :               0.00000000000000
                   +1 :              -0.00022490823359
                3d
                   -2 :               0.00001162789276
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000496254481
                   +2 :               0.00000000000000
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00056798998589
                3p
                   -1 :              -0.00000000000000
                   +1 :               0.00022490823359
                3d
                   -2 :              -0.00001162789276
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000496254481
                   +2 :              -0.00000000000000
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00056798998589
                3p
                   -1 :               0.00000000000000
                   +1 :              -0.00022490823359
                3d
                   -2 :              -0.00001162789276
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000496254481
                   +2 :              -0.00000000000000
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00056798998589
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00022490823359
                3d
                   -2 :               0.00001162789276
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000496254481
                   +2 :               0.00000000000000
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00016298480442
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00012776491910
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00002085364897
                   +0 :              -0.00000000000000
                   +1 :               0.00001142815390
                   +2 :              -0.00000000000000
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00016298480442
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00012776491910
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00002085364897
                   +0 :               0.00000000000000
                   +1 :               0.00001142815390
                   +2 :              -0.00000000000000
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00016298480442
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012776491910
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00002085364897
                   +0 :              -0.00000000000000
                   +1 :               0.00001142815390
                   +2 :              -0.00000000000000
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00016298480442
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00012776491910
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00002085364897
                   +0 :              -0.00000000000000
                   +1 :               0.00001142815390
                   +2 :              -0.00000000000000
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :               0.00028680986330
                   +0 :               0.00000328588639
                   +1 :               0.00012406269345
                3p
                   -1 :              -0.00000371061247
                   +0 :               0.00010893365678
                   +1 :              -0.00004518976558
                3d
                   -2 :              -0.00000561160895
                   -1 :              -0.00001746845681
                   +0 :              -0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :               0.00000124516352
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :              -0.00028680986330
                   +0 :               0.00000328588639
                   +1 :              -0.00012406269345
                3p
                   -1 :               0.00000371061247
                   +0 :               0.00010893365678
                   +1 :               0.00004518976558
                3d
                   -2 :               0.00000561160895
                   -1 :              -0.00001746845681
                   +0 :               0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :              -0.00000124516352
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :              -0.00028680986330
                   +0 :               0.00000328588639
                   +1 :               0.00012406269345
                3p
                   -1 :               0.00000371061247
                   +0 :               0.00010893365678
                   +1 :              -0.00004518976558
                3d
                   -2 :               0.00000561160895
                   -1 :               0.00001746845681
                   +0 :              -0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :               0.00000124516352
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :               0.00028680986330
                   +0 :               0.00000328588639
                   +1 :              -0.00012406269345
                3p
                   -1 :              -0.00000371061247
                   +0 :               0.00010893365678
                   +1 :               0.00004518976558
                3d
                   -2 :              -0.00000561160895
                   -1 :               0.00001746845681
                   +0 :               0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :              -0.00000124516352
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :              -0.00028680986330
                   +0 :              -0.00000328588639
                   +1 :               0.00012406269345
                3p
                   -1 :               0.00000371061247
                   +0 :              -0.00010893365678
                   +1 :              -0.00004518976558
                3d
                   -2 :              -0.00000561160895
                   -1 :               0.00001746845681
                   +0 :               0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :              -0.00000124516352
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :               0.00028680986330
                   +0 :              -0.00000328588639
                   +1 :              -0.00012406269345
                3p
                   -1 :              -0.00000371061247
                   +0 :              -0.00010893365678
                   +1 :               0.00004518976558
                3d
                   -2 :               0.00000561160895
                   -1 :               0.00001746845681
                   +0 :              -0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :               0.00000124516352
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00001662260023
                2s
                   +0 :               0.00024991986140
                3s
                   +0 :              -0.00000146192561
                2p
                   -1 :               0.00028680986330
                   +0 :              -0.00000328588639
                   +1 :               0.00012406269345
                3p
                   -1 :              -0.00000371061247
                   +0 :              -0.00010893365678
                   +1 :              -0.00004518976558
                3d
                   -2 :               0.00000561160895
                   -1 :              -0.00001746845681
                   +0 :               0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :              -0.00000124516352
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00001662260023
                2s
                   +0 :              -0.00024991986140
                3s
                   +0 :               0.00000146192561
                2p
                   -1 :              -0.00028680986330
                   +0 :              -0.00000328588639
                   +1 :              -0.00012406269345
                3p
                   -1 :               0.00000371061247
                   +0 :              -0.00010893365678
                   +1 :               0.00004518976558
                3d
                   -2 :              -0.00000561160895
                   -1 :              -0.00001746845681
                   +0 :              -0.00000257676662
                   +1 :              -0.00000798859990
                   +2 :               0.00000124516352
             29 vec=    -0.000000    -10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00005078905595
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000430318225
                3d
                   -2 :               0.00000621204346
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000558096149
                   +2 :               0.00000000000000
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +1 :               0.00005078905595
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000430318225
                3d
                   -2 :              -0.00000621204346
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000558096149
                   +2 :              -0.00000000000000
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :              -0.00005078905595
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000430318225
                3d
                   -2 :              -0.00000621204346
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000558096149
                   +2 :              -0.00000000000000
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005078905595
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000430318225
                3d
                   -2 :               0.00000621204346
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000558096149
                   +2 :               0.00000000000000
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00018043157083
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00006951579037
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000536175544
                   +2 :               0.00000000000000
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00002556767628
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00005886536987
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001415701717
                   +0 :              -0.00000000000000
                   +1 :               0.00000373729248
                   +2 :               0.00000000000000
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00002556767628
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00005886536987
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001415701717
                   +0 :               0.00000000000000
                   +1 :               0.00000373729248
                   +2 :              -0.00000000000000
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :              -0.00002556767628
                3p
                   +0 :              -0.00005886536987
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001415701717
                   +0 :               0.00000000000000
                   +1 :               0.00000373729248
                   +2 :              -0.00000000000000
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00002556767628
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00005886536987
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001415701717
                   +0 :              -0.00000000000000
                   +1 :               0.00000373729248
                   +2 :               0.00000000000000
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00018043157083
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00006951579037
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000536175544
                   +2 :               0.00000000000000
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :              -0.00002956145719
                   +0 :               0.00004726215319
                   +1 :              -0.00001578676663
                3p
                   -1 :               0.00005204578505
                   +0 :               0.00004216546047
                   +1 :              -0.00001131776436
                3d
                   -2 :               0.00000040707073
                   -1 :              -0.00001718270431
                   +0 :              -0.00000433777546
                   +1 :               0.00000133254904
                   +2 :               0.00000503261830
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :               0.00002956145719
                   +0 :               0.00004726215319
                   +1 :               0.00001578676663
                3p
                   -1 :              -0.00005204578505
                   +0 :               0.00004216546047
                   +1 :               0.00001131776436
                3d
                   -2 :              -0.00000040707073
                   -1 :              -0.00001718270431
                   +0 :               0.00000433777546
                   +1 :               0.00000133254904
                   +2 :              -0.00000503261830
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :               0.00002956145719
                   +0 :               0.00004726215319
                   +1 :              -0.00001578676663
                3p
                   -1 :              -0.00005204578505
                   +0 :               0.00004216546047
                   +1 :              -0.00001131776436
                3d
                   -2 :              -0.00000040707073
                   -1 :               0.00001718270431
                   +0 :              -0.00000433777546
                   +1 :               0.00000133254904
                   +2 :               0.00000503261830
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :              -0.00002956145719
                   +0 :               0.00004726215319
                   +1 :               0.00001578676663
                3p
                   -1 :               0.00005204578505
                   +0 :               0.00004216546047
                   +1 :               0.00001131776436
                3d
                   -2 :               0.00000040707073
                   -1 :               0.00001718270431
                   +0 :               0.00000433777546
                   +1 :               0.00000133254904
                   +2 :              -0.00000503261830
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :               0.00002956145719
                   +0 :              -0.00004726215319
                   +1 :              -0.00001578676663
                3p
                   -1 :              -0.00005204578505
                   +0 :              -0.00004216546047
                   +1 :              -0.00001131776436
                3d
                   -2 :               0.00000040707073
                   -1 :               0.00001718270431
                   +0 :               0.00000433777546
                   +1 :               0.00000133254904
                   +2 :              -0.00000503261830
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :              -0.00002956145719
                   +0 :              -0.00004726215319
                   +1 :               0.00001578676663
                3p
                   -1 :               0.00005204578505
                   +0 :              -0.00004216546047
                   +1 :               0.00001131776436
                3d
                   -2 :              -0.00000040707073
                   -1 :               0.00001718270431
                   +0 :              -0.00000433777546
                   +1 :               0.00000133254904
                   +2 :               0.00000503261830
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00000509135693
                2s
                   +0 :               0.00005768916950
                3s
                   +0 :               0.00002670215647
                2p
                   -1 :              -0.00002956145719
                   +0 :              -0.00004726215319
                   +1 :              -0.00001578676663
                3p
                   -1 :               0.00005204578505
                   +0 :              -0.00004216546047
                   +1 :              -0.00001131776436
                3d
                   -2 :              -0.00000040707073
                   -1 :              -0.00001718270431
                   +0 :               0.00000433777546
                   +1 :               0.00000133254904
                   +2 :              -0.00000503261830
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00000509135693
                2s
                   +0 :              -0.00005768916950
                3s
                   +0 :              -0.00002670215647
                2p
                   -1 :               0.00002956145719
                   +0 :              -0.00004726215319
                   +1 :               0.00001578676663
                3p
                   -1 :              -0.00005204578505
                   +0 :              -0.00004216546047
                   +1 :               0.00001131776436
                3d
                   -2 :               0.00000040707073
                   -1 :              -0.00001718270431
                   +0 :              -0.00000433777546
                   +1 :               0.00000133254904
                   +2 :               0.00000503261830
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site O (  6)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.01210229212996
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00096571677933
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00263877788443
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00031831908348
                2s
                   +0 :               0.00572269249476
                3s
                   +0 :              -0.00072914936612
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00499061844772
                   +1 :              -0.00295490253700
                3p
                   +0 :              -0.00004130636881
                   +1 :              -0.00032591067398
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00023848352225
                   +1 :              -0.00041789910454
                   +2 :               0.00047723897780
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00436150378703
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00172425831399
                3d
                   -2 :               0.00012732516285
                   -1 :               0.00000000000000
                   +1 :              -0.00002655601996
                   +2 :              -0.00000000000000
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00436150378703
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00172425831399
                3d
                   -2 :              -0.00012732516285
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002655601996
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00031831908348
                2s
                   +0 :              -0.00572269249476
                3s
                   +0 :               0.00072914936612
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00499061844772
                   +1 :              -0.00295490253700
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00004130636881
                   +1 :              -0.00032591067398
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00023848352225
                   +1 :              -0.00041789910454
                   +2 :              -0.00047723897780
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :               0.00095670554884
                   +0 :               0.00097907682576
                   +1 :               0.00254636796056
                3p
                   -1 :              -0.00014646910742
                   +0 :              -0.00055779273754
                   +1 :              -0.00067236830730
                3d
                   -2 :              -0.00001957157013
                   -1 :              -0.00000664945220
                   +0 :               0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :               0.00003927235869
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :              -0.00095670554884
                   +0 :               0.00097907682576
                   +1 :               0.00254636796056
                3p
                   -1 :               0.00014646910742
                   +0 :              -0.00055779273754
                   +1 :              -0.00067236830730
                3d
                   -2 :               0.00001957157013
                   -1 :               0.00000664945220
                   +0 :               0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :               0.00003927235869
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :              -0.00095670554884
                   +0 :              -0.00097907682576
                   +1 :               0.00254636796056
                3p
                   -1 :               0.00014646910742
                   +0 :               0.00055779273754
                   +1 :              -0.00067236830730
                3d
                   -2 :              -0.00001957157013
                   -1 :               0.00000664945220
                   +0 :              -0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :              -0.00003927235869
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :               0.00095670554884
                   +0 :              -0.00097907682576
                   +1 :               0.00254636796056
                3p
                   -1 :              -0.00014646910742
                   +0 :               0.00055779273754
                   +1 :              -0.00067236830730
                3d
                   -2 :               0.00001957157013
                   -1 :              -0.00000664945220
                   +0 :              -0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :              -0.00003927235869
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :               0.00291329933204
                   +0 :              -0.00037303134330
                   +1 :               0.00134563338180
                3p
                   -1 :              -0.00109507980589
                   +0 :              -0.00005752704296
                   +1 :              -0.00097785640967
                3d
                   -2 :               0.00010211153047
                   -1 :               0.00000016511125
                   +0 :              -0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :               0.00009087858057
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :              -0.00291329933204
                   +0 :              -0.00037303134330
                   +1 :               0.00134563338180
                3p
                   -1 :               0.00109507980589
                   +0 :              -0.00005752704296
                   +1 :              -0.00097785640967
                3d
                   -2 :              -0.00010211153047
                   -1 :              -0.00000016511125
                   +0 :              -0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :               0.00009087858057
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :              -0.00291329933204
                   +0 :               0.00037303134330
                   +1 :               0.00134563338180
                3p
                   -1 :               0.00109507980589
                   +0 :               0.00005752704296
                   +1 :              -0.00097785640967
                3d
                   -2 :               0.00010211153047
                   -1 :              -0.00000016511125
                   +0 :               0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :              -0.00009087858057
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :               0.00291329933204
                   +0 :               0.00037303134330
                   +1 :               0.00134563338180
                3p
                   -1 :              -0.00109507980589
                   +0 :               0.00005752704296
                   +1 :              -0.00097785640967
                3d
                   -2 :              -0.00010211153047
                   -1 :               0.00000016511125
                   +0 :               0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :              -0.00009087858057
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :               0.00030237011468
                   +0 :               0.00036107550496
                   +1 :              -0.00015745153007
                3p
                   -1 :              -0.00005075449381
                   +0 :              -0.00015691723924
                   +1 :               0.00015405399893
                3d
                   -2 :              -0.00000328934101
                   -1 :              -0.00001166608604
                   +0 :               0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :              -0.00001468687212
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :              -0.00030237011468
                   +0 :               0.00036107550496
                   +1 :              -0.00015745153007
                3p
                   -1 :               0.00005075449381
                   +0 :              -0.00015691723924
                   +1 :               0.00015405399893
                3d
                   -2 :               0.00000328934101
                   -1 :               0.00001166608604
                   +0 :               0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :              -0.00001468687212
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :              -0.00002985627079
                   +0 :              -0.00005199372992
                   +1 :               0.00003370020279
                3p
                   -1 :               0.00001878416438
                   +0 :              -0.00005379532533
                   +1 :              -0.00004621017269
                3d
                   -2 :               0.00000798136210
                   -1 :               0.00000126612632
                   +0 :              -0.00000137293097
                   +1 :               0.00000777318884
                   +2 :               0.00000069917970
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :               0.00002985627079
                   +0 :              -0.00005199372992
                   +1 :               0.00003370020279
                3p
                   -1 :              -0.00001878416438
                   +0 :              -0.00005379532533
                   +1 :              -0.00004621017269
                3d
                   -2 :              -0.00000798136210
                   -1 :              -0.00000126612632
                   +0 :              -0.00000137293097
                   +1 :               0.00000777318884
                   +2 :               0.00000069917970
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :               0.00002985627079
                   +0 :               0.00005199372992
                   +1 :               0.00003370020279
                3p
                   -1 :              -0.00001878416438
                   +0 :               0.00005379532533
                   +1 :              -0.00004621017269
                3d
                   -2 :               0.00000798136210
                   -1 :              -0.00000126612632
                   +0 :               0.00000137293097
                   +1 :               0.00000777318884
                   +2 :              -0.00000069917970
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :              -0.00002985627079
                   +0 :               0.00005199372992
                   +1 :               0.00003370020279
                3p
                   -1 :               0.00001878416438
                   +0 :               0.00005379532533
                   +1 :              -0.00004621017269
                3d
                   -2 :              -0.00000798136210
                   -1 :               0.00000126612632
                   +0 :               0.00000137293097
                   +1 :               0.00000777318884
                   +2 :              -0.00000069917970
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :              -0.00030237011468
                   +0 :              -0.00036107550496
                   +1 :              -0.00015745153007
                3p
                   -1 :               0.00005075449381
                   +0 :               0.00015691723924
                   +1 :               0.00015405399893
                3d
                   -2 :              -0.00000328934101
                   -1 :               0.00001166608604
                   +0 :              -0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :               0.00001468687212
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :               0.00030237011468
                   +0 :              -0.00036107550496
                   +1 :              -0.00015745153007
                3p
                   -1 :              -0.00005075449381
                   +0 :               0.00015691723924
                   +1 :               0.00015405399893
                3d
                   -2 :               0.00000328934101
                   -1 :              -0.00001166608604
                   +0 :              -0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :               0.00001468687212
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000972545023
                2s
                   +0 :              -0.00023742613426
                3s
                   +0 :              -0.00002053890876
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00051042863824
                   +1 :              -0.00001171053407
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00015362605975
                   +1 :               0.00004248134051
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001855862915
                   +1 :               0.00000597638609
                   +2 :              -0.00000951609212
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00008811083611
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005395638867
                3d
                   -2 :               0.00000459461894
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000666928357
                   +2 :               0.00000000000000
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00008811083611
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00005395638867
                3d
                   -2 :              -0.00000459461894
                   -1 :               0.00000000000000
                   +1 :               0.00000666928357
                   +2 :              -0.00000000000000
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000972545023
                2s
                   +0 :               0.00023742613426
                3s
                   +0 :               0.00002053890876
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00051042863824
                   +1 :              -0.00001171053407
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00015362605975
                   +1 :               0.00004248134051
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001855862915
                   +1 :               0.00000597638609
                   +2 :               0.00000951609212
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :              -0.00000440361287
                   +0 :               0.00010435825854
                   +1 :              -0.00014521104460
                3p
                   -1 :               0.00002738211395
                   +0 :               0.00000464482388
                   +1 :               0.00009948335925
                3d
                   -2 :              -0.00000664252455
                   -1 :              -0.00000251005885
                   +0 :               0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :              -0.00001350112908
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :               0.00000440361287
                   +0 :               0.00010435825854
                   +1 :              -0.00014521104460
                3p
                   -1 :              -0.00002738211395
                   +0 :               0.00000464482388
                   +1 :               0.00009948335925
                3d
                   -2 :               0.00000664252455
                   -1 :               0.00000251005885
                   +0 :               0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :              -0.00001350112908
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :              -0.00001572275631
                   +0 :               0.00005447853472
                   +1 :              -0.00010467192948
                3p
                   -1 :               0.00012496977025
                   +0 :              -0.00002589237575
                   +1 :               0.00014497664322
                3d
                   -2 :              -0.00002708650395
                   -1 :               0.00001020774369
                   +0 :               0.00001614412756
                   +1 :               0.00001054034536
                   +2 :              -0.00000053364838
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :               0.00001572275631
                   +0 :               0.00005447853472
                   +1 :              -0.00010467192948
                3p
                   -1 :              -0.00012496977025
                   +0 :              -0.00002589237575
                   +1 :               0.00014497664322
                3d
                   -2 :               0.00002708650395
                   -1 :              -0.00001020774369
                   +0 :               0.00001614412756
                   +1 :               0.00001054034536
                   +2 :              -0.00000053364838
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :               0.00001572275631
                   +0 :              -0.00005447853472
                   +1 :              -0.00010467192948
                3p
                   -1 :              -0.00012496977025
                   +0 :               0.00002589237575
                   +1 :               0.00014497664322
                3d
                   -2 :              -0.00002708650395
                   -1 :              -0.00001020774369
                   +0 :              -0.00001614412756
                   +1 :               0.00001054034536
                   +2 :               0.00000053364838
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :              -0.00001572275631
                   +0 :              -0.00005447853472
                   +1 :              -0.00010467192948
                3p
                   -1 :               0.00012496977025
                   +0 :               0.00002589237575
                   +1 :               0.00014497664322
                3d
                   -2 :               0.00002708650395
                   -1 :               0.00001020774369
                   +0 :              -0.00001614412756
                   +1 :               0.00001054034536
                   +2 :               0.00000053364838
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :               0.00000440361287
                   +0 :              -0.00010435825854
                   +1 :              -0.00014521104460
                3p
                   -1 :              -0.00002738211395
                   +0 :              -0.00000464482388
                   +1 :               0.00009948335925
                3d
                   -2 :              -0.00000664252455
                   -1 :               0.00000251005885
                   +0 :              -0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :               0.00001350112908
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :              -0.00000440361287
                   +0 :              -0.00010435825854
                   +1 :              -0.00014521104460
                3p
                   -1 :               0.00002738211395
                   +0 :              -0.00000464482388
                   +1 :               0.00009948335925
                3d
                   -2 :               0.00000664252455
                   -1 :              -0.00000251005885
                   +0 :              -0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :               0.00001350112908
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :               0.00002074128764
                   +0 :              -0.00008573483257
                   +1 :              -0.00001288447515
                3p
                   -1 :              -0.00005333659882
                   +0 :              -0.00000545178866
                   +1 :              -0.00004992825909
                3d
                   -2 :               0.00001250356149
                   -1 :               0.00000592629745
                   +0 :              -0.00000843789544
                   +1 :               0.00000832204452
                   +2 :              -0.00000682777031
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :              -0.00002074128764
                   +0 :              -0.00008573483257
                   +1 :              -0.00001288447515
                3p
                   -1 :               0.00005333659882
                   +0 :              -0.00000545178866
                   +1 :              -0.00004992825909
                3d
                   -2 :              -0.00001250356149
                   -1 :              -0.00000592629745
                   +0 :              -0.00000843789544
                   +1 :               0.00000832204452
                   +2 :              -0.00000682777031
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :              -0.00002074128764
                   +0 :               0.00008573483257
                   +1 :              -0.00001288447515
                3p
                   -1 :               0.00005333659882
                   +0 :               0.00000545178866
                   +1 :              -0.00004992825909
                3d
                   -2 :               0.00001250356149
                   -1 :              -0.00000592629745
                   +0 :               0.00000843789544
                   +1 :               0.00000832204452
                   +2 :               0.00000682777031
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :               0.00002074128764
                   +0 :               0.00008573483257
                   +1 :              -0.00001288447515
                3p
                   -1 :              -0.00005333659882
                   +0 :               0.00000545178866
                   +1 :              -0.00004992825909
                3d
                   -2 :              -0.00001250356149
                   -1 :               0.00000592629745
                   +0 :               0.00000843789544
                   +1 :               0.00000832204452
                   +2 :               0.00000682777031
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :               0.00002289122144
                   +0 :               0.00002612748910
                   +1 :               0.00001937968293
                3p
                   -1 :               0.00002174280252
                   +0 :              -0.00000914602095
                   +1 :               0.00000049117020
                3d
                   -2 :              -0.00000339329767
                   -1 :               0.00000176031420
                   +0 :               0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :               0.00000430508487
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :              -0.00002289122144
                   +0 :               0.00002612748910
                   +1 :               0.00001937968293
                3p
                   -1 :              -0.00002174280252
                   +0 :              -0.00000914602095
                   +1 :               0.00000049117020
                3d
                   -2 :               0.00000339329767
                   -1 :              -0.00000176031420
                   +0 :               0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :               0.00000430508487
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :              -0.00002289122144
                   +0 :              -0.00002612748910
                   +1 :               0.00001937968293
                3p
                   -1 :              -0.00002174280252
                   +0 :               0.00000914602095
                   +1 :               0.00000049117020
                3d
                   -2 :              -0.00000339329767
                   -1 :              -0.00000176031420
                   +0 :              -0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :              -0.00000430508487
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :               0.00002289122144
                   +0 :              -0.00002612748910
                   +1 :               0.00001937968293
                3p
                   -1 :               0.00002174280252
                   +0 :               0.00000914602095
                   +1 :               0.00000049117020
                3d
                   -2 :               0.00000339329767
                   -1 :               0.00000176031420
                   +0 :              -0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :              -0.00000430508487
WF             site_B          number of pairs
WF(  4)=[Cu 3d1]  to site O (  7)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.01210229212996
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00096571677933
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00263877788443
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00031831908348
                2s
                   +0 :              -0.00572269249476
                3s
                   +0 :               0.00072914936612
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00499061844772
                   +1 :               0.00295490253700
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00004130636881
                   +1 :               0.00032591067398
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00023848352225
                   +1 :              -0.00041789910454
                   +2 :              -0.00047723897780
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00436150378703
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00172425831399
                3d
                   -2 :              -0.00012732516285
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002655601996
                   +2 :               0.00000000000000
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00436150378703
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00172425831399
                3d
                   -2 :               0.00012732516285
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002655601996
                   +2 :              -0.00000000000000
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00031831908348
                2s
                   +0 :               0.00572269249476
                3s
                   +0 :              -0.00072914936612
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00499061844772
                   +1 :               0.00295490253700
                3p
                   +0 :               0.00004130636881
                   +1 :               0.00032591067398
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00023848352225
                   +1 :              -0.00041789910454
                   +2 :               0.00047723897780
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :              -0.00095670554884
                   +0 :               0.00097907682576
                   +1 :              -0.00254636796056
                3p
                   -1 :               0.00014646910742
                   +0 :              -0.00055779273754
                   +1 :               0.00067236830730
                3d
                   -2 :               0.00001957157013
                   -1 :              -0.00000664945220
                   +0 :              -0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :              -0.00003927235869
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00005916211436
                2s
                   +0 :              -0.00016744762445
                3s
                   +0 :              -0.00048027909088
                2p
                   -1 :               0.00095670554884
                   +0 :               0.00097907682576
                   +1 :              -0.00254636796056
                3p
                   -1 :              -0.00014646910742
                   +0 :              -0.00055779273754
                   +1 :               0.00067236830730
                3d
                   -2 :              -0.00001957157013
                   -1 :               0.00000664945220
                   +0 :              -0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :              -0.00003927235869
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :               0.00095670554884
                   +0 :              -0.00097907682576
                   +1 :              -0.00254636796056
                3p
                   -1 :              -0.00014646910742
                   +0 :               0.00055779273754
                   +1 :               0.00067236830730
                3d
                   -2 :               0.00001957157013
                   -1 :               0.00000664945220
                   +0 :               0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :               0.00003927235869
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00005916211436
                2s
                   +0 :               0.00016744762445
                3s
                   +0 :               0.00048027909088
                2p
                   -1 :              -0.00095670554884
                   +0 :              -0.00097907682576
                   +1 :              -0.00254636796056
                3p
                   -1 :               0.00014646910742
                   +0 :               0.00055779273754
                   +1 :               0.00067236830730
                3d
                   -2 :              -0.00001957157013
                   -1 :              -0.00000664945220
                   +0 :               0.00019580592031
                   +1 :              -0.00005146987440
                   +2 :               0.00003927235869
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :              -0.00291329933204
                   +0 :              -0.00037303134330
                   +1 :              -0.00134563338180
                3p
                   -1 :               0.00109507980589
                   +0 :              -0.00005752704296
                   +1 :               0.00097785640967
                3d
                   -2 :              -0.00010211153047
                   -1 :               0.00000016511125
                   +0 :               0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :              -0.00009087858057
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00010645636686
                2s
                   +0 :               0.00335301050014
                3s
                   +0 :              -0.00083744723623
                2p
                   -1 :               0.00291329933204
                   +0 :              -0.00037303134330
                   +1 :              -0.00134563338180
                3p
                   -1 :              -0.00109507980589
                   +0 :              -0.00005752704296
                   +1 :               0.00097785640967
                3d
                   -2 :               0.00010211153047
                   -1 :              -0.00000016511125
                   +0 :               0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :              -0.00009087858057
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :               0.00291329933204
                   +0 :               0.00037303134330
                   +1 :              -0.00134563338180
                3p
                   -1 :              -0.00109507980589
                   +0 :               0.00005752704296
                   +1 :               0.00097785640967
                3d
                   -2 :              -0.00010211153047
                   -1 :              -0.00000016511125
                   +0 :              -0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :               0.00009087858057
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00010645636686
                2s
                   +0 :              -0.00335301050014
                3s
                   +0 :               0.00083744723623
                2p
                   -1 :              -0.00291329933204
                   +0 :               0.00037303134330
                   +1 :              -0.00134563338180
                3p
                   -1 :               0.00109507980589
                   +0 :               0.00005752704296
                   +1 :               0.00097785640967
                3d
                   -2 :               0.00010211153047
                   -1 :               0.00000016511125
                   +0 :              -0.00005081522397
                   +1 :              -0.00003811336500
                   +2 :               0.00009087858057
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :              -0.00030237011468
                   +0 :               0.00036107550496
                   +1 :               0.00015745153007
                3p
                   -1 :               0.00005075449381
                   +0 :              -0.00015691723924
                   +1 :              -0.00015405399893
                3d
                   -2 :               0.00000328934101
                   -1 :              -0.00001166608604
                   +0 :              -0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :               0.00001468687212
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00001849626219
                2s
                   +0 :               0.00020384864855
                3s
                   +0 :              -0.00005578978831
                2p
                   -1 :               0.00030237011468
                   +0 :               0.00036107550496
                   +1 :               0.00015745153007
                3p
                   -1 :              -0.00005075449381
                   +0 :              -0.00015691723924
                   +1 :              -0.00015405399893
                3d
                   -2 :              -0.00000328934101
                   -1 :               0.00001166608604
                   +0 :              -0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :               0.00001468687212
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :               0.00002985627079
                   +0 :              -0.00005199372992
                   +1 :              -0.00003370020279
                3p
                   -1 :              -0.00001878416438
                   +0 :              -0.00005379532533
                   +1 :               0.00004621017269
                3d
                   -2 :              -0.00000798136210
                   -1 :               0.00000126612632
                   +0 :               0.00000137293097
                   +1 :               0.00000777318884
                   +2 :              -0.00000069917970
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00000686506784
                2s
                   +0 :               0.00002667416908
                3s
                   +0 :              -0.00005735864012
                2p
                   -1 :              -0.00002985627079
                   +0 :              -0.00005199372992
                   +1 :              -0.00003370020279
                3p
                   -1 :               0.00001878416438
                   +0 :              -0.00005379532533
                   +1 :               0.00004621017269
                3d
                   -2 :               0.00000798136210
                   -1 :              -0.00000126612632
                   +0 :               0.00000137293097
                   +1 :               0.00000777318884
                   +2 :              -0.00000069917970
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :              -0.00002985627079
                   +0 :               0.00005199372992
                   +1 :              -0.00003370020279
                3p
                   -1 :               0.00001878416438
                   +0 :               0.00005379532533
                   +1 :               0.00004621017269
                3d
                   -2 :              -0.00000798136210
                   -1 :              -0.00000126612632
                   +0 :              -0.00000137293097
                   +1 :               0.00000777318884
                   +2 :               0.00000069917970
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00000686506784
                2s
                   +0 :              -0.00002667416908
                3s
                   +0 :               0.00005735864012
                2p
                   -1 :               0.00002985627079
                   +0 :               0.00005199372992
                   +1 :              -0.00003370020279
                3p
                   -1 :              -0.00001878416438
                   +0 :               0.00005379532533
                   +1 :               0.00004621017269
                3d
                   -2 :               0.00000798136210
                   -1 :               0.00000126612632
                   +0 :              -0.00000137293097
                   +1 :               0.00000777318884
                   +2 :               0.00000069917970
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :               0.00030237011468
                   +0 :              -0.00036107550496
                   +1 :               0.00015745153007
                3p
                   -1 :              -0.00005075449381
                   +0 :               0.00015691723924
                   +1 :              -0.00015405399893
                3d
                   -2 :               0.00000328934101
                   -1 :               0.00001166608604
                   +0 :               0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :              -0.00001468687212
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00001849626219
                2s
                   +0 :              -0.00020384864855
                3s
                   +0 :               0.00005578978831
                2p
                   -1 :              -0.00030237011468
                   +0 :              -0.00036107550496
                   +1 :               0.00015745153007
                3p
                   -1 :               0.00005075449381
                   +0 :               0.00015691723924
                   +1 :              -0.00015405399893
                3d
                   -2 :              -0.00000328934101
                   -1 :              -0.00001166608604
                   +0 :               0.00003211247649
                   +1 :              -0.00003869119657
                   +2 :              -0.00001468687212
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000972545023
                2s
                   +0 :               0.00023742613426
                3s
                   +0 :               0.00002053890876
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00051042863824
                   +1 :               0.00001171053407
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00015362605975
                   +1 :              -0.00004248134051
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001855862915
                   +1 :               0.00000597638609
                   +2 :               0.00000951609212
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00008811083611
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00005395638867
                3d
                   -2 :              -0.00000459461894
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000666928357
                   +2 :              -0.00000000000000
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00008811083611
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005395638867
                3d
                   -2 :               0.00000459461894
                   -1 :               0.00000000000000
                   +1 :               0.00000666928357
                   +2 :               0.00000000000000
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00000972545023
                2s
                   +0 :              -0.00023742613426
                3s
                   +0 :              -0.00002053890876
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00051042863824
                   +1 :               0.00001171053407
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00015362605975
                   +1 :              -0.00004248134051
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001855862915
                   +1 :               0.00000597638609
                   +2 :              -0.00000951609212
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :               0.00000440361287
                   +0 :               0.00010435825854
                   +1 :               0.00014521104460
                3p
                   -1 :              -0.00002738211395
                   +0 :               0.00000464482388
                   +1 :              -0.00009948335925
                3d
                   -2 :               0.00000664252455
                   -1 :              -0.00000251005885
                   +0 :              -0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :               0.00001350112908
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000461629727
                2s
                   +0 :              -0.00008836625220
                3s
                   +0 :               0.00005258712689
                2p
                   -1 :              -0.00000440361287
                   +0 :               0.00010435825854
                   +1 :               0.00014521104460
                3p
                   -1 :               0.00002738211395
                   +0 :               0.00000464482388
                   +1 :              -0.00009948335925
                3d
                   -2 :              -0.00000664252455
                   -1 :               0.00000251005885
                   +0 :              -0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :               0.00001350112908
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :               0.00001572275631
                   +0 :               0.00005447853472
                   +1 :               0.00010467192948
                3p
                   -1 :              -0.00012496977025
                   +0 :              -0.00002589237575
                   +1 :              -0.00014497664322
                3d
                   -2 :               0.00002708650395
                   -1 :               0.00001020774369
                   +0 :              -0.00001614412756
                   +1 :               0.00001054034536
                   +2 :               0.00000053364838
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00000308682724
                2s
                   +0 :              -0.00000763486566
                3s
                   +0 :               0.00009709798415
                2p
                   -1 :              -0.00001572275631
                   +0 :               0.00005447853472
                   +1 :               0.00010467192948
                3p
                   -1 :               0.00012496977025
                   +0 :              -0.00002589237575
                   +1 :              -0.00014497664322
                3d
                   -2 :              -0.00002708650395
                   -1 :              -0.00001020774369
                   +0 :              -0.00001614412756
                   +1 :               0.00001054034536
                   +2 :               0.00000053364838
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :              -0.00001572275631
                   +0 :              -0.00005447853472
                   +1 :               0.00010467192948
                3p
                   -1 :               0.00012496977025
                   +0 :               0.00002589237575
                   +1 :              -0.00014497664322
                3d
                   -2 :               0.00002708650395
                   -1 :              -0.00001020774369
                   +0 :               0.00001614412756
                   +1 :               0.00001054034536
                   +2 :              -0.00000053364838
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000308682724
                2s
                   +0 :               0.00000763486566
                3s
                   +0 :              -0.00009709798415
                2p
                   -1 :               0.00001572275631
                   +0 :              -0.00005447853472
                   +1 :               0.00010467192948
                3p
                   -1 :              -0.00012496977025
                   +0 :               0.00002589237575
                   +1 :              -0.00014497664322
                3d
                   -2 :              -0.00002708650395
                   -1 :               0.00001020774369
                   +0 :               0.00001614412756
                   +1 :               0.00001054034536
                   +2 :              -0.00000053364838
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :              -0.00000440361287
                   +0 :              -0.00010435825854
                   +1 :               0.00014521104460
                3p
                   -1 :               0.00002738211395
                   +0 :              -0.00000464482388
                   +1 :              -0.00009948335925
                3d
                   -2 :               0.00000664252455
                   -1 :               0.00000251005885
                   +0 :               0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :              -0.00001350112908
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00000461629727
                2s
                   +0 :               0.00008836625220
                3s
                   +0 :              -0.00005258712689
                2p
                   -1 :               0.00000440361287
                   +0 :              -0.00010435825854
                   +1 :               0.00014521104460
                3p
                   -1 :              -0.00002738211395
                   +0 :              -0.00000464482388
                   +1 :              -0.00009948335925
                3d
                   -2 :              -0.00000664252455
                   -1 :              -0.00000251005885
                   +0 :               0.00000617068823
                   +1 :              -0.00000175031220
                   +2 :              -0.00001350112908
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :              -0.00002074128764
                   +0 :              -0.00008573483257
                   +1 :               0.00001288447515
                3p
                   -1 :               0.00005333659882
                   +0 :              -0.00000545178866
                   +1 :               0.00004992825909
                3d
                   -2 :              -0.00001250356149
                   -1 :               0.00000592629745
                   +0 :               0.00000843789544
                   +1 :               0.00000832204452
                   +2 :               0.00000682777031
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000619990888
                2s
                   +0 :               0.00005967441958
                3s
                   +0 :              -0.00005492452129
                2p
                   -1 :               0.00002074128764
                   +0 :              -0.00008573483257
                   +1 :               0.00001288447515
                3p
                   -1 :              -0.00005333659882
                   +0 :              -0.00000545178866
                   +1 :               0.00004992825909
                3d
                   -2 :               0.00001250356149
                   -1 :              -0.00000592629745
                   +0 :               0.00000843789544
                   +1 :               0.00000832204452
                   +2 :               0.00000682777031
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :               0.00002074128764
                   +0 :               0.00008573483257
                   +1 :               0.00001288447515
                3p
                   -1 :              -0.00005333659882
                   +0 :               0.00000545178866
                   +1 :               0.00004992825909
                3d
                   -2 :              -0.00001250356149
                   -1 :              -0.00000592629745
                   +0 :              -0.00000843789544
                   +1 :               0.00000832204452
                   +2 :              -0.00000682777031
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000619990888
                2s
                   +0 :              -0.00005967441958
                3s
                   +0 :               0.00005492452129
                2p
                   -1 :              -0.00002074128764
                   +0 :               0.00008573483257
                   +1 :               0.00001288447515
                3p
                   -1 :               0.00005333659882
                   +0 :               0.00000545178866
                   +1 :               0.00004992825909
                3d
                   -2 :               0.00001250356149
                   -1 :               0.00000592629745
                   +0 :              -0.00000843789544
                   +1 :               0.00000832204452
                   +2 :              -0.00000682777031
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :              -0.00002289122144
                   +0 :               0.00002612748910
                   +1 :              -0.00001937968293
                3p
                   -1 :              -0.00002174280252
                   +0 :              -0.00000914602095
                   +1 :              -0.00000049117020
                3d
                   -2 :               0.00000339329767
                   -1 :               0.00000176031420
                   +0 :              -0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :              -0.00000430508487
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000479046119
                2s
                   +0 :              -0.00004514626085
                3s
                   +0 :               0.00003768913488
                2p
                   -1 :               0.00002289122144
                   +0 :               0.00002612748910
                   +1 :              -0.00001937968293
                3p
                   -1 :               0.00002174280252
                   +0 :              -0.00000914602095
                   +1 :              -0.00000049117020
                3d
                   -2 :              -0.00000339329767
                   -1 :              -0.00000176031420
                   +0 :              -0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :              -0.00000430508487
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :               0.00002289122144
                   +0 :              -0.00002612748910
                   +1 :              -0.00001937968293
                3p
                   -1 :               0.00002174280252
                   +0 :               0.00000914602095
                   +1 :              -0.00000049117020
                3d
                   -2 :               0.00000339329767
                   -1 :              -0.00000176031420
                   +0 :               0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :               0.00000430508487
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000479046119
                2s
                   +0 :               0.00004514626085
                3s
                   +0 :              -0.00003768913488
                2p
                   -1 :              -0.00002289122144
                   +0 :              -0.00002612748910
                   +1 :              -0.00001937968293
                3p
                   -1 :              -0.00002174280252
                   +0 :               0.00000914602095
                   +1 :              -0.00000049117020
                3d
                   -2 :              -0.00000339329767
                   -1 :               0.00000176031420
                   +0 :               0.00000081761692
                   +1 :              -0.00000324030187
                   +2 :               0.00000430508487
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00442766234374
                   +0 :               0.00000000000000
                   +1 :               0.00442766234374
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00379915879589
                   +0 :               0.00000000000000
                   +1 :              -0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00074049399506
                   +0 :              -0.00000000000000
                   +1 :               0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :               0.00032511326228
                   +0 :              -0.00000000000000
                   +1 :              -0.00032511326228
                4f
                   -3 :               0.00723581465548
                   -2 :               0.00000000000000
                   -1 :               0.00006611548313
                   +0 :              -0.00000000000000
                   +1 :              -0.00006611548313
                   +2 :               0.00360607654360
                   +3 :               0.00723581465548
              2 vec=    -3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00442766234374
                   +0 :              -0.00000000000000
                   +1 :               0.00442766234374
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00379915879589
                   +0 :              -0.00000000000000
                   +1 :              -0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00074049399506
                   +0 :               0.00000000000000
                   +1 :               0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :              -0.00032511326228
                   +0 :               0.00000000000000
                   +1 :              -0.00032511326228
                4f
                   -3 :              -0.00723581465548
                   -2 :               0.00000000000000
                   -1 :              -0.00006611548313
                   +0 :               0.00000000000000
                   +1 :              -0.00006611548313
                   +2 :               0.00360607654360
                   +3 :               0.00723581465548
              3 vec=     3.573189     -3.573189     -3.505098   |vec|=    6.149883
                5p
                   -1 :              -0.00442766234374
                   +0 :              -0.00000000000000
                   +1 :              -0.00442766234374
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00379915879589
                   +0 :              -0.00000000000000
                   +1 :               0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00074049399506
                   +0 :               0.00000000000000
                   +1 :              -0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :               0.00032511326228
                   +0 :               0.00000000000000
                   +1 :               0.00032511326228
                4f
                   -3 :               0.00723581465548
                   -2 :               0.00000000000000
                   -1 :               0.00006611548313
                   +0 :               0.00000000000000
                   +1 :               0.00006611548313
                   +2 :               0.00360607654360
                   +3 :              -0.00723581465548
              4 vec=     3.573189      3.573189     -3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00442766234374
                   +0 :               0.00000000000000
                   +1 :              -0.00442766234374
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00379915879589
                   +0 :               0.00000000000000
                   +1 :               0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00074049399506
                   +0 :              -0.00000000000000
                   +1 :              -0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :              -0.00032511326228
                   +0 :              -0.00000000000000
                   +1 :               0.00032511326228
                4f
                   -3 :              -0.00723581465548
                   -2 :               0.00000000000000
                   -1 :              -0.00006611548313
                   +0 :              -0.00000000000000
                   +1 :               0.00006611548313
                   +2 :               0.00360607654360
                   +3 :              -0.00723581465548
              5 vec=     0.000000      0.000000      9.013109   |vec|=    9.013109
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000673850655
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00033205185148
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00003485441263
                   +3 :              -0.00000000000000
              6 vec=    -7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00057350403574
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00111196414591
                   +1 :               0.00027607040957
                6s
                   +0 :              -0.00048700071527
                7s
                   +0 :               0.00000724003255
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00290623476665
                   +1 :               0.00202930633335
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00007969014328
                   +1 :              -0.00048719027421
                   +2 :              -0.00013369046399
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00004976793339
                   +1 :              -0.00020486247982
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00234031982202
                   +1 :              -0.00160661013879
                   +2 :              -0.00038545818552
                   +3 :              -0.00022502373627
              7 vec=     0.000000     -7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00057350403574
                5p
                   -1 :              -0.00027607040957
                   +0 :               0.00111196414591
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00048700071527
                7s
                   +0 :              -0.00000724003255
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00202930633335
                   +0 :              -0.00290623476665
                   +1 :              -0.00000000000000
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00048719027421
                   +0 :              -0.00007969014328
                   +1 :              -0.00000000000000
                   +2 :              -0.00013369046399
                6p
                   -1 :               0.00020486247982
                   +0 :              -0.00004976793339
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00022502373627
                   -2 :               0.00000000000000
                   -1 :               0.00160661013879
                   +0 :               0.00234031982202
                   +1 :              -0.00000000000000
                   +2 :              -0.00038545818552
                   +3 :              -0.00000000000000
              8 vec=     0.000000      7.146377      9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00057350403574
                5p
                   -1 :               0.00027607040957
                   +0 :               0.00111196414591
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00048700071527
                7s
                   +0 :              -0.00000724003255
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00202930633335
                   +0 :              -0.00290623476665
                   +1 :              -0.00000000000000
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00048719027421
                   +0 :              -0.00007969014328
                   +1 :               0.00000000000000
                   +2 :              -0.00013369046399
                6p
                   -1 :              -0.00020486247982
                   +0 :              -0.00004976793339
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00022502373627
                   -2 :              -0.00000000000000
                   -1 :              -0.00160661013879
                   +0 :               0.00234031982202
                   +1 :               0.00000000000000
                   +2 :              -0.00038545818552
                   +3 :              -0.00000000000000
              9 vec=     7.146377      0.000000      9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00057350403574
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00111196414591
                   +1 :              -0.00027607040957
                6s
                   +0 :              -0.00048700071527
                7s
                   +0 :               0.00000724003255
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00290623476665
                   +1 :              -0.00202930633335
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00007969014328
                   +1 :               0.00048719027421
                   +2 :              -0.00013369046399
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00004976793339
                   +1 :               0.00020486247982
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00234031982202
                   +1 :               0.00160661013879
                   +2 :              -0.00038545818552
                   +3 :               0.00022502373627
             10 vec=   -10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :               0.00013123060222
                   +0 :               0.00089557520968
                   +1 :               0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :              -0.00296617899753
                   +0 :               0.00049528751215
                   +1 :               0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :               0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :               0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00001108873005
                   +0 :               0.00000174595605
                   +1 :               0.00010805748252
                4f
                   -3 :              -0.00246580743106
                   -2 :              -0.00182656710043
                   -1 :               0.00007497038201
                   +0 :               0.00053708957075
                   +1 :               0.00125163490902
                   +2 :               0.00092680550004
                   +3 :              -0.00086407789795
             11 vec=   -10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :              -0.00013123060222
                   +0 :               0.00089557520968
                   +1 :               0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :               0.00296617899753
                   +0 :               0.00049528751215
                   +1 :               0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :              -0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :               0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00001108873005
                   +0 :               0.00000174595605
                   +1 :               0.00010805748252
                4f
                   -3 :               0.00246580743106
                   -2 :               0.00182656710043
                   -1 :              -0.00007497038201
                   +0 :               0.00053708957075
                   +1 :               0.00125163490902
                   +2 :               0.00092680550004
                   +3 :              -0.00086407789795
             12 vec=    -3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :              -0.00078963987244
                   +0 :              -0.00089557520968
                   +1 :              -0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :              -0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :               0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :              -0.00002152632501
                   +0 :               0.00000954056730
                   +1 :              -0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00010805748252
                   +0 :              -0.00000174595605
                   +1 :               0.00001108873005
                4f
                   -3 :              -0.00086407789795
                   -2 :               0.00182656710043
                   -1 :              -0.00125163490902
                   +0 :              -0.00053708957075
                   +1 :              -0.00007497038201
                   +2 :               0.00092680550004
                   +3 :              -0.00246580743106
             13 vec=    -3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :               0.00078963987244
                   +0 :              -0.00089557520968
                   +1 :              -0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :               0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :               0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :               0.00002152632501
                   +0 :               0.00000954056730
                   +1 :              -0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00010805748252
                   +0 :              -0.00000174595605
                   +1 :               0.00001108873005
                4f
                   -3 :               0.00086407789795
                   -2 :              -0.00182656710043
                   -1 :               0.00125163490902
                   +0 :              -0.00053708957075
                   +1 :              -0.00007497038201
                   +2 :               0.00092680550004
                   +3 :              -0.00246580743106
             14 vec=     3.573189    -10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :              -0.00078963987244
                   +0 :              -0.00089557520968
                   +1 :               0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :              -0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :              -0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :              -0.00002152632501
                   +0 :               0.00000954056730
                   +1 :               0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00010805748252
                   +0 :              -0.00000174595605
                   +1 :              -0.00001108873005
                4f
                   -3 :              -0.00086407789795
                   -2 :              -0.00182656710043
                   -1 :              -0.00125163490902
                   +0 :              -0.00053708957075
                   +1 :               0.00007497038201
                   +2 :               0.00092680550004
                   +3 :               0.00246580743106
             15 vec=     3.573189     10.719566     -3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :               0.00078963987244
                   +0 :              -0.00089557520968
                   +1 :               0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :               0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :              -0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :               0.00002152632501
                   +0 :               0.00000954056730
                   +1 :               0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00010805748252
                   +0 :              -0.00000174595605
                   +1 :              -0.00001108873005
                4f
                   -3 :               0.00086407789795
                   -2 :               0.00182656710043
                   -1 :               0.00125163490902
                   +0 :              -0.00053708957075
                   +1 :               0.00007497038201
                   +2 :               0.00092680550004
                   +3 :               0.00246580743106
             16 vec=    10.719566     -3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :               0.00013123060222
                   +0 :               0.00089557520968
                   +1 :              -0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :              -0.00296617899753
                   +0 :               0.00049528751215
                   +1 :              -0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :               0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :              -0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00001108873005
                   +0 :               0.00000174595605
                   +1 :              -0.00010805748252
                4f
                   -3 :              -0.00246580743106
                   -2 :               0.00182656710043
                   -1 :               0.00007497038201
                   +0 :               0.00053708957075
                   +1 :              -0.00125163490902
                   +2 :               0.00092680550004
                   +3 :               0.00086407789795
             17 vec=    10.719566      3.573189     -3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :              -0.00013123060222
                   +0 :               0.00089557520968
                   +1 :              -0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :               0.00296617899753
                   +0 :               0.00049528751215
                   +1 :              -0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :              -0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :              -0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00001108873005
                   +0 :               0.00000174595605
                   +1 :              -0.00010805748252
                4f
                   -3 :               0.00246580743106
                   -2 :              -0.00182656710043
                   -1 :              -0.00007497038201
                   +0 :               0.00053708957075
                   +1 :              -0.00125163490902
                   +2 :               0.00092680550004
                   +3 :               0.00086407789795
             18 vec=    -7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00003453139504
                   +0 :              -0.00000000000000
                   +1 :              -0.00003453139504
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00064627484511
                   +0 :               0.00000000000000
                   +1 :              -0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00010715410603
                   +0 :              -0.00000000000000
                   +1 :               0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :              -0.00005763827953
                   +0 :               0.00000000000000
                   +1 :               0.00005763827953
                4f
                   -3 :               0.00026958325317
                   -2 :               0.00000000000000
                   -1 :              -0.00044158417527
                   +0 :              -0.00000000000000
                   +1 :               0.00044158417527
                   +2 :              -0.00009670141925
                   +3 :               0.00026958325317
             19 vec=    -7.146377      7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00003453139504
                   +0 :               0.00000000000000
                   +1 :              -0.00003453139504
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00064627484511
                   +0 :              -0.00000000000000
                   +1 :              -0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00010715410603
                   +0 :               0.00000000000000
                   +1 :               0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :               0.00005763827953
                   +0 :              -0.00000000000000
                   +1 :               0.00005763827953
                4f
                   -3 :              -0.00026958325317
                   -2 :              -0.00000000000000
                   -1 :               0.00044158417527
                   +0 :               0.00000000000000
                   +1 :               0.00044158417527
                   +2 :              -0.00009670141925
                   +3 :               0.00026958325317
             20 vec=     7.146377     -7.146377      9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00003453139504
                   +0 :               0.00000000000000
                   +1 :               0.00003453139504
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00064627484511
                   +0 :              -0.00000000000000
                   +1 :               0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00010715410603
                   +0 :               0.00000000000000
                   +1 :              -0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :              -0.00005763827953
                   +0 :              -0.00000000000000
                   +1 :              -0.00005763827953
                4f
                   -3 :               0.00026958325317
                   -2 :               0.00000000000000
                   -1 :              -0.00044158417527
                   +0 :               0.00000000000000
                   +1 :              -0.00044158417527
                   +2 :              -0.00009670141925
                   +3 :              -0.00026958325317
             21 vec=     7.146377      7.146377      9.013109   |vec|=   13.541697
                5p
                   -1 :              -0.00003453139504
                   +0 :              -0.00000000000000
                   +1 :               0.00003453139504
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00064627484511
                   +0 :               0.00000000000000
                   +1 :               0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00010715410603
                   +0 :              -0.00000000000000
                   +1 :              -0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :               0.00005763827953
                   +0 :               0.00000000000000
                   +1 :              -0.00005763827953
                4f
                   -3 :              -0.00026958325317
                   -2 :              -0.00000000000000
                   -1 :               0.00044158417527
                   +0 :              -0.00000000000000
                   +1 :              -0.00044158417527
                   +2 :              -0.00009670141925
                   +3 :              -0.00026958325317
             22 vec=   -10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00009060643972
                   +0 :               0.00000000000000
                   +1 :              -0.00009060643972
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00127204875122
                   +0 :               0.00000000000000
                   +1 :              -0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00012321666192
                   +0 :              -0.00000000000000
                   +1 :               0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :               0.00003439779531
                   +0 :              -0.00000000000000
                   +1 :              -0.00003439779531
                4f
                   -3 :               0.00065058641436
                   -2 :              -0.00000000000000
                   -1 :               0.00048720193494
                   +0 :               0.00000000000000
                   +1 :              -0.00048720193494
                   +2 :              -0.00067836757753
                   +3 :               0.00065058641436
             23 vec=   -10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00009060643972
                   +0 :              -0.00000000000000
                   +1 :              -0.00009060643972
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00127204875122
                   +0 :              -0.00000000000000
                   +1 :              -0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00012321666192
                   +0 :               0.00000000000000
                   +1 :               0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :              -0.00003439779531
                   +1 :              -0.00003439779531
                4f
                   -3 :              -0.00065058641436
                   -2 :              -0.00000000000000
                   -1 :              -0.00048720193494
                   +0 :              -0.00000000000000
                   +1 :              -0.00048720193494
                   +2 :              -0.00067836757753
                   +3 :               0.00065058641436
             24 vec=    10.719566    -10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00009060643972
                   +0 :              -0.00000000000000
                   +1 :               0.00009060643972
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00127204875122
                   +0 :              -0.00000000000000
                   +1 :               0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012321666192
                   +0 :               0.00000000000000
                   +1 :              -0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :               0.00003439779531
                   +0 :               0.00000000000000
                   +1 :               0.00003439779531
                4f
                   -3 :               0.00065058641436
                   -2 :              -0.00000000000000
                   -1 :               0.00048720193494
                   +0 :              -0.00000000000000
                   +1 :               0.00048720193494
                   +2 :              -0.00067836757753
                   +3 :              -0.00065058641436
             25 vec=    10.719566     10.719566     -3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00009060643972
                   +0 :              -0.00000000000000
                   +1 :               0.00009060643972
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00127204875122
                   +0 :               0.00000000000000
                   +1 :               0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00012321666192
                   +0 :              -0.00000000000000
                   +1 :              -0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :              -0.00003439779531
                   +1 :               0.00003439779531
                4f
                   -3 :              -0.00065058641436
                   -2 :              -0.00000000000000
                   -1 :              -0.00048720193494
                   +0 :               0.00000000000000
                   +1 :               0.00048720193494
                   +2 :              -0.00067836757753
                   +3 :              -0.00065058641436
             26 vec=     0.000000      0.000000    -16.023305   |vec|=   16.023305
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00064760487528
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000566735584
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00055669476631
             27 vec=   -14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00016387544427
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00006789708402
                   +1 :              -0.00009515132773
                6s
                   +0 :              -0.00033386282398
                7s
                   +0 :               0.00004993516958
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00032518503965
                   +1 :              -0.00049971302308
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011722646798
                   +1 :               0.00021596501592
                   +2 :              -0.00007130713342
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00013651814297
                   +1 :               0.00006464468578
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00037041605494
                   +1 :               0.00038354007960
                   +2 :              -0.00013580442634
                   +3 :               0.00012911735885
             28 vec=     0.000000    -14.292755      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00016387544427
                5p
                   -1 :               0.00009515132773
                   +0 :              -0.00006789708402
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00033386282398
                7s
                   +0 :              -0.00004993516958
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00049971302308
                   +0 :              -0.00032518503965
                   +1 :              -0.00000000000000
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00021596501592
                   +0 :               0.00011722646798
                   +1 :               0.00000000000000
                   +2 :              -0.00007130713342
                6p
                   -1 :              -0.00006464468578
                   +0 :               0.00013651814297
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00012911735885
                   -2 :               0.00000000000000
                   -1 :              -0.00038354007960
                   +0 :              -0.00037041605494
                   +1 :               0.00000000000000
                   +2 :              -0.00013580442634
                   +3 :               0.00000000000000
             29 vec=     0.000000     14.292755      9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00016387544427
                5p
                   -1 :              -0.00009515132773
                   +0 :              -0.00006789708402
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00033386282398
                7s
                   +0 :              -0.00004993516958
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00049971302308
                   +0 :              -0.00032518503965
                   +1 :               0.00000000000000
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00021596501592
                   +0 :               0.00011722646798
                   +1 :              -0.00000000000000
                   +2 :              -0.00007130713342
                6p
                   -1 :               0.00006464468578
                   +0 :               0.00013651814297
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00012911735885
                   -2 :              -0.00000000000000
                   -1 :               0.00038354007960
                   +0 :              -0.00037041605494
                   +1 :               0.00000000000000
                   +2 :              -0.00013580442634
                   +3 :               0.00000000000000
             30 vec=    14.292755      0.000000      9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00016387544427
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00006789708402
                   +1 :               0.00009515132773
                6s
                   +0 :              -0.00033386282398
                7s
                   +0 :               0.00004993516958
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00032518503965
                   +1 :               0.00049971302308
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011722646798
                   +1 :              -0.00021596501592
                   +2 :              -0.00007130713342
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00013651814297
                   +1 :              -0.00006464468578
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00037041605494
                   +1 :              -0.00038354007960
                   +2 :              -0.00013580442634
                   +3 :              -0.00012911735885
             31 vec=    -7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00005104403914
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00008481534759
                   +1 :               0.00001375405886
                6s
                   +0 :              -0.00015545432509
                7s
                   +0 :               0.00000082392659
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00035470864874
                   +1 :               0.00016375018943
                   +2 :               0.00006918166757
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007805054863
                   +1 :              -0.00006127820889
                   +2 :              -0.00002257885605
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00004944354867
                   +1 :               0.00004776527561
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00027093708806
                   +1 :              -0.00002641431865
                   +2 :              -0.00000741144067
                   +3 :               0.00006819909239
             32 vec=     0.000000     -7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00005104403914
                5p
                   -1 :              -0.00001375405886
                   +0 :              -0.00008481534759
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00015545432509
                7s
                   +0 :              -0.00000082392659
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00016375018943
                   +0 :              -0.00035470864874
                   +1 :               0.00000000000000
                   +2 :               0.00006918166757
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00006127820889
                   +0 :               0.00007805054863
                   +1 :              -0.00000000000000
                   +2 :              -0.00002257885605
                6p
                   -1 :              -0.00004776527561
                   +0 :              -0.00004944354867
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00006819909239
                   -2 :              -0.00000000000000
                   -1 :               0.00002641431865
                   +0 :              -0.00027093708806
                   +1 :               0.00000000000000
                   +2 :              -0.00000741144067
                   +3 :               0.00000000000000
             33 vec=     0.000000      7.146377    -16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00005104403914
                5p
                   -1 :               0.00001375405886
                   +0 :              -0.00008481534759
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00015545432509
                7s
                   +0 :              -0.00000082392659
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00016375018943
                   +0 :              -0.00035470864874
                   +1 :               0.00000000000000
                   +2 :               0.00006918166757
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00006127820889
                   +0 :               0.00007805054863
                   +1 :              -0.00000000000000
                   +2 :              -0.00002257885605
                6p
                   -1 :               0.00004776527561
                   +0 :              -0.00004944354867
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00006819909239
                   -2 :               0.00000000000000
                   -1 :              -0.00002641431865
                   +0 :              -0.00027093708806
                   +1 :              -0.00000000000000
                   +2 :              -0.00000741144067
                   +3 :               0.00000000000000
             34 vec=     7.146377      0.000000    -16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00005104403914
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00008481534759
                   +1 :              -0.00001375405886
                6s
                   +0 :              -0.00015545432509
                7s
                   +0 :               0.00000082392659
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00035470864874
                   +1 :              -0.00016375018943
                   +2 :               0.00006918166757
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007805054863
                   +1 :               0.00006127820889
                   +2 :              -0.00002257885605
                6p
                   +0 :               0.00004944354867
                   +1 :              -0.00004776527561
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00027093708806
                   +1 :               0.00002641431865
                   +2 :              -0.00000741144067
                   +3 :              -0.00006819909239
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00442766234374
                   +0 :              -0.00000000000000
                   +1 :               0.00442766234374
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00379915879589
                   +0 :               0.00000000000000
                   +1 :               0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00074049399506
                   +0 :              -0.00000000000000
                   +1 :              -0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :               0.00032511326228
                   +0 :               0.00000000000000
                   +1 :              -0.00032511326228
                4f
                   -3 :               0.00723581465548
                   -2 :              -0.00000000000000
                   -1 :               0.00006611548313
                   +0 :               0.00000000000000
                   +1 :              -0.00006611548313
                   +2 :              -0.00360607654360
                   +3 :               0.00723581465548
              2 vec=    -3.573189      3.573189      3.505098   |vec|=    6.149883
                5p
                   -1 :               0.00442766234374
                   +1 :               0.00442766234374
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00379915879589
                   +0 :              -0.00000000000000
                   +1 :               0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00074049399506
                   +0 :               0.00000000000000
                   +1 :              -0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :              -0.00032511326228
                   +0 :              -0.00000000000000
                   +1 :              -0.00032511326228
                4f
                   -3 :              -0.00723581465548
                   -2 :              -0.00000000000000
                   -1 :              -0.00006611548313
                   +0 :              -0.00000000000000
                   +1 :              -0.00006611548313
                   +2 :              -0.00360607654360
                   +3 :               0.00723581465548
              3 vec=     3.573189     -3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00442766234374
                   +0 :               0.00000000000000
                   +1 :              -0.00442766234374
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00379915879589
                   +0 :              -0.00000000000000
                   +1 :              -0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00074049399506
                   +0 :               0.00000000000000
                   +1 :               0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :               0.00032511326228
                   +0 :              -0.00000000000000
                   +1 :               0.00032511326228
                4f
                   -3 :               0.00723581465548
                   -2 :              -0.00000000000000
                   -1 :               0.00006611548313
                   +0 :              -0.00000000000000
                   +1 :               0.00006611548313
                   +2 :              -0.00360607654360
                   +3 :              -0.00723581465548
              4 vec=     3.573189      3.573189      3.505098   |vec|=    6.149883
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00442766234374
                   +0 :              -0.00000000000000
                   +1 :              -0.00442766234374
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00379915879589
                   +0 :               0.00000000000000
                   +1 :              -0.00379915879589
                   +2 :               0.00518823988979
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00074049399506
                   +0 :              -0.00000000000000
                   +1 :               0.00074049399506
                   +2 :               0.00008660596774
                6p
                   -1 :              -0.00032511326228
                   +0 :               0.00000000000000
                   +1 :               0.00032511326228
                4f
                   -3 :              -0.00723581465548
                   -2 :              -0.00000000000000
                   -1 :              -0.00006611548313
                   +0 :               0.00000000000000
                   +1 :               0.00006611548313
                   +2 :              -0.00360607654360
                   +3 :              -0.00723581465548
              5 vec=     0.000000      0.000000     -9.013109   |vec|=    9.013109
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000673850655
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00033205185148
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00003485441263
                   +3 :               0.00000000000000
              6 vec=    -7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00057350403574
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00111196414591
                   +1 :               0.00027607040957
                6s
                   +0 :              -0.00048700071527
                7s
                   +0 :               0.00000724003255
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00290623476665
                   +1 :              -0.00202930633335
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00007969014328
                   +1 :               0.00048719027421
                   +2 :              -0.00013369046399
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004976793339
                   +1 :              -0.00020486247982
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00234031982202
                   +1 :              -0.00160661013879
                   +2 :               0.00038545818552
                   +3 :              -0.00022502373627
              7 vec=     0.000000     -7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00057350403574
                5p
                   -1 :              -0.00027607040957
                   +0 :              -0.00111196414591
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00048700071527
                7s
                   +0 :              -0.00000724003255
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00202930633335
                   +0 :              -0.00290623476665
                   +1 :              -0.00000000000000
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00048719027421
                   +0 :              -0.00007969014328
                   +1 :               0.00000000000000
                   +2 :              -0.00013369046399
                6p
                   -1 :               0.00020486247982
                   +0 :               0.00004976793339
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00022502373627
                   -2 :               0.00000000000000
                   -1 :               0.00160661013879
                   +0 :              -0.00234031982202
                   +1 :              -0.00000000000000
                   +2 :               0.00038545818552
                   +3 :               0.00000000000000
              8 vec=     0.000000      7.146377     -9.013109   |vec|=   11.502471
                5s
                   +0 :               0.00057350403574
                5p
                   -1 :               0.00027607040957
                   +0 :              -0.00111196414591
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00048700071527
                7s
                   +0 :              -0.00000724003255
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00202930633335
                   +0 :              -0.00290623476665
                   +1 :              -0.00000000000000
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00048719027421
                   +0 :              -0.00007969014328
                   +1 :              -0.00000000000000
                   +2 :              -0.00013369046399
                6p
                   -1 :              -0.00020486247982
                   +0 :               0.00004976793339
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00022502373627
                   -2 :              -0.00000000000000
                   -1 :              -0.00160661013879
                   +0 :              -0.00234031982202
                   +1 :               0.00000000000000
                   +2 :               0.00038545818552
                   +3 :              -0.00000000000000
              9 vec=     7.146377      0.000000     -9.013109   |vec|=   11.502471
                5s
                   +0 :              -0.00057350403574
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00111196414591
                   +1 :              -0.00027607040957
                6s
                   +0 :              -0.00048700071527
                7s
                   +0 :               0.00000724003255
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00290623476665
                   +1 :               0.00202930633335
                   +2 :               0.00057460116413
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00007969014328
                   +1 :              -0.00048719027421
                   +2 :              -0.00013369046399
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00004976793339
                   +1 :               0.00020486247982
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00234031982202
                   +1 :               0.00160661013879
                   +2 :               0.00038545818552
                   +3 :               0.00022502373627
             10 vec=   -10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :               0.00013123060222
                   +0 :              -0.00089557520968
                   +1 :               0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :               0.00296617899753
                   +0 :               0.00049528751215
                   +1 :              -0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :              -0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :              -0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00001108873005
                   +0 :              -0.00000174595605
                   +1 :               0.00010805748252
                4f
                   -3 :              -0.00246580743106
                   -2 :               0.00182656710043
                   -1 :               0.00007497038201
                   +0 :              -0.00053708957075
                   +1 :               0.00125163490902
                   +2 :              -0.00092680550004
                   +3 :              -0.00086407789795
             11 vec=   -10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :              -0.00013123060222
                   +0 :              -0.00089557520968
                   +1 :               0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :              -0.00296617899753
                   +0 :               0.00049528751215
                   +1 :              -0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :               0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :              -0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00001108873005
                   +0 :              -0.00000174595605
                   +1 :               0.00010805748252
                4f
                   -3 :               0.00246580743106
                   -2 :              -0.00182656710043
                   -1 :              -0.00007497038201
                   +0 :              -0.00053708957075
                   +1 :               0.00125163490902
                   +2 :              -0.00092680550004
                   +3 :              -0.00086407789795
             12 vec=    -3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :              -0.00078963987244
                   +0 :               0.00089557520968
                   +1 :              -0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :               0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :              -0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :               0.00002152632501
                   +0 :               0.00000954056730
                   +1 :               0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00010805748252
                   +0 :               0.00000174595605
                   +1 :               0.00001108873005
                4f
                   -3 :              -0.00086407789795
                   -2 :              -0.00182656710043
                   -1 :              -0.00125163490902
                   +0 :               0.00053708957075
                   +1 :              -0.00007497038201
                   +2 :              -0.00092680550004
                   +3 :              -0.00246580743106
             13 vec=    -3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :               0.00078963987244
                   +0 :               0.00089557520968
                   +1 :              -0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :              -0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :              -0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :              -0.00002152632501
                   +0 :               0.00000954056730
                   +1 :               0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00010805748252
                   +0 :               0.00000174595605
                   +1 :               0.00001108873005
                4f
                   -3 :               0.00086407789795
                   -2 :               0.00182656710043
                   -1 :               0.00125163490902
                   +0 :               0.00053708957075
                   +1 :              -0.00007497038201
                   +2 :              -0.00092680550004
                   +3 :              -0.00246580743106
             14 vec=     3.573189    -10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :              -0.00078963987244
                   +0 :               0.00089557520968
                   +1 :               0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :               0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :               0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :               0.00002152632501
                   +0 :               0.00000954056730
                   +1 :              -0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00010805748252
                   +0 :               0.00000174595605
                   +1 :              -0.00001108873005
                4f
                   -3 :              -0.00086407789795
                   -2 :               0.00182656710043
                   -1 :              -0.00125163490902
                   +0 :               0.00053708957075
                   +1 :               0.00007497038201
                   +2 :              -0.00092680550004
                   +3 :               0.00246580743106
             15 vec=     3.573189     10.719566      3.505098   |vec|=   11.830574
                5s
                   +0 :               0.00013018318631
                5p
                   -1 :               0.00078963987244
                   +0 :               0.00089557520968
                   +1 :               0.00013123060222
                6s
                   +0 :               0.00082599846250
                7s
                   +0 :              -0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :              -0.00148706877160
                   +0 :              -0.00049528751215
                   +1 :               0.00296617899753
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :              -0.00002152632501
                   +0 :               0.00000954056730
                   +1 :              -0.00053457190494
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00010805748252
                   +0 :               0.00000174595605
                   +1 :              -0.00001108873005
                4f
                   -3 :               0.00086407789795
                   -2 :              -0.00182656710043
                   -1 :               0.00125163490902
                   +0 :               0.00053708957075
                   +1 :               0.00007497038201
                   +2 :              -0.00092680550004
                   +3 :               0.00246580743106
             16 vec=    10.719566     -3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :               0.00013123060222
                   +0 :              -0.00089557520968
                   +1 :              -0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :               0.00150185566798
                   -1 :               0.00296617899753
                   +0 :               0.00049528751215
                   +1 :               0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :              -0.00021076024019
                   -1 :              -0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :               0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :              -0.00001108873005
                   +0 :              -0.00000174595605
                   +1 :              -0.00010805748252
                4f
                   -3 :              -0.00246580743106
                   -2 :              -0.00182656710043
                   -1 :               0.00007497038201
                   +0 :              -0.00053708957075
                   +1 :              -0.00125163490902
                   +2 :              -0.00092680550004
                   +3 :               0.00086407789795
             17 vec=    10.719566      3.573189      3.505098   |vec|=   11.830574
                5s
                   +0 :              -0.00013018318631
                5p
                   -1 :              -0.00013123060222
                   +0 :              -0.00089557520968
                   +1 :              -0.00078963987244
                6s
                   +0 :              -0.00082599846250
                7s
                   +0 :               0.00002510914788
                5d
                   -2 :              -0.00150185566798
                   -1 :              -0.00296617899753
                   +0 :               0.00049528751215
                   +1 :               0.00148706877160
                   +2 :              -0.00051953433041
                6d
                   -2 :               0.00021076024019
                   -1 :               0.00053457190494
                   +0 :              -0.00000954056730
                   +1 :               0.00002152632501
                   +2 :               0.00008323043446
                6p
                   -1 :               0.00001108873005
                   +0 :              -0.00000174595605
                   +1 :              -0.00010805748252
                4f
                   -3 :               0.00246580743106
                   -2 :               0.00182656710043
                   -1 :              -0.00007497038201
                   +0 :              -0.00053708957075
                   +1 :              -0.00125163490902
                   +2 :              -0.00092680550004
                   +3 :               0.00086407789795
             18 vec=    -7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00003453139504
                   +0 :               0.00000000000000
                   +1 :              -0.00003453139504
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00064627484511
                   +0 :               0.00000000000000
                   +1 :               0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00010715410603
                   +0 :              -0.00000000000000
                   +1 :              -0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :              -0.00005763827953
                   +0 :              -0.00000000000000
                   +1 :               0.00005763827953
                4f
                   -3 :               0.00026958325317
                   -2 :               0.00000000000000
                   -1 :              -0.00044158417527
                   +0 :               0.00000000000000
                   +1 :               0.00044158417527
                   +2 :               0.00009670141925
                   +3 :               0.00026958325317
             19 vec=    -7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00003453139504
                   +0 :              -0.00000000000000
                   +1 :              -0.00003453139504
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00064627484511
                   +0 :              -0.00000000000000
                   +1 :               0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00010715410603
                   +0 :               0.00000000000000
                   +1 :              -0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :               0.00005763827953
                   +0 :               0.00000000000000
                   +1 :               0.00005763827953
                4f
                   -3 :              -0.00026958325317
                   -2 :              -0.00000000000000
                   -1 :               0.00044158417527
                   +0 :              -0.00000000000000
                   +1 :               0.00044158417527
                   +2 :               0.00009670141925
                   +3 :               0.00026958325317
             20 vec=     7.146377     -7.146377     -9.013109   |vec|=   13.541697
                5p
                   -1 :               0.00003453139504
                   +0 :              -0.00000000000000
                   +1 :               0.00003453139504
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00064627484511
                   +0 :              -0.00000000000000
                   +1 :              -0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00010715410603
                   +0 :               0.00000000000000
                   +1 :               0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :              -0.00005763827953
                   +0 :               0.00000000000000
                   +1 :              -0.00005763827953
                4f
                   -3 :               0.00026958325317
                   -2 :               0.00000000000000
                   -1 :              -0.00044158417527
                   +0 :              -0.00000000000000
                   +1 :              -0.00044158417527
                   +2 :               0.00009670141925
                   +3 :              -0.00026958325317
             21 vec=     7.146377      7.146377     -9.013109   |vec|=   13.541697
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00003453139504
                   +0 :               0.00000000000000
                   +1 :               0.00003453139504
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00064627484511
                   +0 :               0.00000000000000
                   +1 :              -0.00064627484511
                   +2 :               0.00048150878173
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00010715410603
                   +0 :              -0.00000000000000
                   +1 :               0.00010715410603
                   +2 :              -0.00005925941869
                6p
                   -1 :               0.00005763827953
                   +0 :              -0.00000000000000
                   +1 :              -0.00005763827953
                4f
                   -3 :              -0.00026958325317
                   -2 :              -0.00000000000000
                   -1 :               0.00044158417527
                   +0 :               0.00000000000000
                   +1 :              -0.00044158417527
                   +2 :               0.00009670141925
                   +3 :              -0.00026958325317
             22 vec=   -10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00009060643972
                   +0 :              -0.00000000000000
                   +1 :              -0.00009060643972
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00127204875122
                   +0 :               0.00000000000000
                   +1 :               0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00012321666192
                   +0 :              -0.00000000000000
                   +1 :              -0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :               0.00003439779531
                   +1 :              -0.00003439779531
                4f
                   -3 :               0.00065058641436
                   -2 :               0.00000000000000
                   -1 :               0.00048720193494
                   +0 :               0.00000000000000
                   +1 :              -0.00048720193494
                   +2 :               0.00067836757753
                   +3 :               0.00065058641436
             23 vec=   -10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00009060643972
                   +0 :               0.00000000000000
                   +1 :              -0.00009060643972
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00127204875122
                   +0 :              -0.00000000000000
                   +1 :               0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012321666192
                   +0 :               0.00000000000000
                   +1 :              -0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :              -0.00003439779531
                   +0 :               0.00000000000000
                   +1 :              -0.00003439779531
                4f
                   -3 :              -0.00065058641436
                   -2 :               0.00000000000000
                   -1 :              -0.00048720193494
                   +0 :              -0.00000000000000
                   +1 :              -0.00048720193494
                   +2 :               0.00067836757753
                   +3 :               0.00065058641436
             24 vec=    10.719566    -10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00009060643972
                   +0 :               0.00000000000000
                   +1 :               0.00009060643972
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00127204875122
                   +0 :              -0.00000000000000
                   +1 :              -0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00012321666192
                   +0 :               0.00000000000000
                   +1 :               0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :               0.00003439779531
                   +0 :              -0.00000000000000
                   +1 :               0.00003439779531
                4f
                   -3 :               0.00065058641436
                   -2 :               0.00000000000000
                   -1 :               0.00048720193494
                   +0 :               0.00000000000000
                   +1 :               0.00048720193494
                   +2 :               0.00067836757753
                   +3 :              -0.00065058641436
             25 vec=    10.719566     10.719566      3.505098   |vec|=   15.559688
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00009060643972
                   +0 :              -0.00000000000000
                   +1 :               0.00009060643972
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00127204875122
                   +0 :               0.00000000000000
                   +1 :              -0.00127204875122
                   +2 :              -0.00037550825132
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00012321666192
                   +0 :              -0.00000000000000
                   +1 :               0.00012321666192
                   +2 :              -0.00001577892687
                6p
                   -1 :              -0.00003439779531
                   +0 :              -0.00000000000000
                   +1 :               0.00003439779531
                4f
                   -3 :              -0.00065058641436
                   -2 :               0.00000000000000
                   -1 :              -0.00048720193494
                   +0 :              -0.00000000000000
                   +1 :               0.00048720193494
                   +2 :               0.00067836757753
                   +3 :              -0.00065058641436
             26 vec=     0.000000      0.000000     16.023305   |vec|=   16.023305
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00064760487528
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000566735584
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00055669476631
             27 vec=   -14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00016387544427
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006789708402
                   +1 :              -0.00009515132773
                6s
                   +0 :              -0.00033386282398
                7s
                   +0 :               0.00004993516958
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00032518503965
                   +1 :               0.00049971302308
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011722646798
                   +1 :              -0.00021596501592
                   +2 :              -0.00007130713342
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00013651814297
                   +1 :               0.00006464468578
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00037041605494
                   +1 :               0.00038354007960
                   +2 :               0.00013580442634
                   +3 :               0.00012911735885
             28 vec=     0.000000    -14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00016387544427
                5p
                   -1 :               0.00009515132773
                   +0 :               0.00006789708402
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00033386282398
                7s
                   +0 :              -0.00004993516958
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00049971302308
                   +0 :              -0.00032518503965
                   +1 :               0.00000000000000
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00021596501592
                   +0 :               0.00011722646798
                   +1 :              -0.00000000000000
                   +2 :              -0.00007130713342
                6p
                   -1 :              -0.00006464468578
                   +0 :              -0.00013651814297
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00012911735885
                   -2 :               0.00000000000000
                   -1 :              -0.00038354007960
                   +0 :               0.00037041605494
                   +1 :              -0.00000000000000
                   +2 :               0.00013580442634
                   +3 :              -0.00000000000000
             29 vec=     0.000000     14.292755     -9.013109   |vec|=   16.897307
                5s
                   +0 :              -0.00016387544427
                5p
                   -1 :              -0.00009515132773
                   +0 :               0.00006789708402
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00033386282398
                7s
                   +0 :              -0.00004993516958
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00049971302308
                   +0 :              -0.00032518503965
                   +1 :              -0.00000000000000
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00021596501592
                   +0 :               0.00011722646798
                   +1 :               0.00000000000000
                   +2 :              -0.00007130713342
                6p
                   -1 :               0.00006464468578
                   +0 :              -0.00013651814297
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00012911735885
                   -2 :              -0.00000000000000
                   -1 :               0.00038354007960
                   +0 :               0.00037041605494
                   +1 :              -0.00000000000000
                   +2 :               0.00013580442634
                   +3 :              -0.00000000000000
             30 vec=    14.292755      0.000000     -9.013109   |vec|=   16.897307
                5s
                   +0 :               0.00016387544427
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00006789708402
                   +1 :               0.00009515132773
                6s
                   +0 :              -0.00033386282398
                7s
                   +0 :               0.00004993516958
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00032518503965
                   +1 :              -0.00049971302308
                   +2 :               0.00018195677036
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011722646798
                   +1 :               0.00021596501592
                   +2 :              -0.00007130713342
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00013651814297
                   +1 :              -0.00006464468578
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00037041605494
                   +1 :              -0.00038354007960
                   +2 :               0.00013580442634
                   +3 :              -0.00012911735885
             31 vec=    -7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00005104403914
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00008481534759
                   +1 :               0.00001375405886
                6s
                   +0 :              -0.00015545432509
                7s
                   +0 :               0.00000082392659
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00035470864874
                   +1 :              -0.00016375018943
                   +2 :               0.00006918166757
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007805054863
                   +1 :               0.00006127820889
                   +2 :              -0.00002257885605
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00004944354867
                   +1 :               0.00004776527561
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00027093708806
                   +1 :              -0.00002641431865
                   +2 :               0.00000741144067
                   +3 :               0.00006819909239
             32 vec=     0.000000     -7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00005104403914
                5p
                   -1 :              -0.00001375405886
                   +0 :               0.00008481534759
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00015545432509
                7s
                   +0 :              -0.00000082392659
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00016375018943
                   +0 :              -0.00035470864874
                   +1 :               0.00000000000000
                   +2 :               0.00006918166757
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00006127820889
                   +0 :               0.00007805054863
                   +1 :              -0.00000000000000
                   +2 :              -0.00002257885605
                6p
                   -1 :              -0.00004776527561
                   +0 :               0.00004944354867
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00006819909239
                   -2 :              -0.00000000000000
                   -1 :               0.00002641431865
                   +0 :               0.00027093708806
                   +1 :               0.00000000000000
                   +2 :               0.00000741144067
                   +3 :              -0.00000000000000
             33 vec=     0.000000      7.146377     16.023305   |vec|=   17.544715
                5s
                   +0 :              -0.00005104403914
                5p
                   -1 :               0.00001375405886
                   +0 :               0.00008481534759
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00015545432509
                7s
                   +0 :              -0.00000082392659
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00016375018943
                   +0 :              -0.00035470864874
                   +1 :               0.00000000000000
                   +2 :               0.00006918166757
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00006127820889
                   +0 :               0.00007805054863
                   +1 :              -0.00000000000000
                   +2 :              -0.00002257885605
                6p
                   -1 :               0.00004776527561
                   +0 :               0.00004944354867
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00006819909239
                   -2 :               0.00000000000000
                   -1 :              -0.00002641431865
                   +0 :               0.00027093708806
                   +1 :              -0.00000000000000
                   +2 :               0.00000741144067
                   +3 :              -0.00000000000000
             34 vec=     7.146377      0.000000     16.023305   |vec|=   17.544715
                5s
                   +0 :               0.00005104403914
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00008481534759
                   +1 :              -0.00001375405886
                6s
                   +0 :              -0.00015545432509
                7s
                   +0 :               0.00000082392659
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00035470864874
                   +1 :               0.00016375018943
                   +2 :               0.00006918166757
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007805054863
                   +1 :              -0.00006127820889
                   +2 :              -0.00002257885605
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00004944354867
                   +1 :              -0.00004776527561
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00027093708806
                   +1 :               0.00002641431865
                   +2 :               0.00000741144067
                   +3 :              -0.00006819909239
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site Cu(  3)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               1.02751209066486
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.02049587877276
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                3s
                   +0 :               0.00091312003034
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00074514239708
                4s
                   +0 :              -0.03235519521771
                5s
                   +0 :               0.00041808132261
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00369655942982
                   +1 :              -0.00000000000000
                   +2 :              -0.00206798115261
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00054880182732
                   +1 :               0.00000000000000
                   +2 :               0.00020934734667
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00709552555092
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                3s
                   +0 :              -0.00091312003034
                3p
                   -1 :              -0.00074514239708
                   +1 :               0.00000000000000
                4s
                   +0 :               0.03235519521771
                5s
                   +0 :              -0.00041808132261
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00369655942982
                   +1 :               0.00000000000000
                   +2 :              -0.00206798115261
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00054880182732
                   +1 :               0.00000000000000
                   +2 :               0.00020934734667
                4p
                   -1 :              -0.00709552555092
                   +1 :               0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                3s
                   +0 :              -0.00091312003034
                3p
                   -1 :               0.00074514239708
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.03235519521771
                5s
                   +0 :              -0.00041808132261
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00369655942982
                   +1 :               0.00000000000000
                   +2 :              -0.00206798115261
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00054880182732
                   +1 :               0.00000000000000
                   +2 :               0.00020934734667
                4p
                   -1 :               0.00709552555092
                   +1 :              -0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                3s
                   +0 :               0.00091312003034
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00074514239708
                4s
                   +0 :              -0.03235519521771
                5s
                   +0 :               0.00041808132261
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00369655942982
                   +1 :              -0.00000000000000
                   +2 :              -0.00206798115261
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00054880182732
                   +1 :               0.00000000000000
                   +2 :               0.00020934734667
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00709552555092
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00027153991658
                   +1 :              -0.00027153991658
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00131438517545
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00034673798416
                4p
                   -1 :               0.00308015483945
                   +0 :              -0.00000000000000
                   +1 :              -0.00308015483945
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00027153991658
                   +1 :              -0.00027153991658
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00131438517545
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00034673798416
                4p
                   -1 :              -0.00308015483945
                   +1 :              -0.00308015483945
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00027153991658
                   +1 :               0.00027153991658
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00131438517545
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00034673798416
                4p
                   -1 :               0.00308015483945
                   +1 :               0.00308015483945
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00027153991658
                   +0 :               0.00000000000000
                   +1 :               0.00027153991658
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00131438517545
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00034673798416
                4p
                   -1 :              -0.00308015483945
                   +0 :              -0.00000000000000
                   +1 :               0.00308015483945
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3p
                   -1 :              -0.00003937594835
                   +0 :               0.00000000000000
                   +1 :               0.00003937594835
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00011249738995
                   +0 :              -0.00000000000000
                   +1 :               0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000581356641
                   +0 :               0.00000000000000
                   +1 :               0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :               0.00011326731954
                   +0 :               0.00000000000000
                   +1 :              -0.00011326731954
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00003937594835
                   +0 :              -0.00000000000000
                   +1 :               0.00003937594835
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00011249738995
                   +0 :               0.00000000000000
                   +1 :              -0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000581356641
                   +0 :              -0.00000000000000
                   +1 :              -0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :               0.00011326731954
                   +0 :              -0.00000000000000
                   +1 :              -0.00011326731954
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                3p
                   -1 :               0.00003937594835
                   +0 :              -0.00000000000000
                   +1 :               0.00003937594835
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00011249738995
                   +0 :               0.00000000000000
                   +1 :               0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000581356641
                   +0 :               0.00000000000000
                   +1 :               0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :              -0.00011326731954
                   +0 :              -0.00000000000000
                   +1 :              -0.00011326731954
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                3p
                   -1 :               0.00003937594835
                   +0 :               0.00000000000000
                   +1 :               0.00003937594835
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00011249738995
                   +1 :              -0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000581356641
                   +1 :              -0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :              -0.00011326731954
                   +0 :               0.00000000000000
                   +1 :              -0.00011326731954
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                3p
                   -1 :              -0.00003937594835
                   +0 :              -0.00000000000000
                   +1 :              -0.00003937594835
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00011249738995
                   +1 :              -0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000581356641
                   +1 :              -0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :               0.00011326731954
                   +0 :              -0.00000000000000
                   +1 :               0.00011326731954
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                3p
                   -1 :              -0.00003937594835
                   +0 :               0.00000000000000
                   +1 :              -0.00003937594835
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00011249738995
                   +0 :               0.00000000000000
                   +1 :               0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000581356641
                   +0 :               0.00000000000000
                   +1 :               0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :               0.00011326731954
                   +0 :               0.00000000000000
                   +1 :               0.00011326731954
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00003937594835
                   +0 :               0.00000000000000
                   +1 :              -0.00003937594835
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00011249738995
                   +0 :               0.00000000000000
                   +1 :              -0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000581356641
                   +0 :               0.00000000000000
                   +1 :              -0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :              -0.00011326731954
                   +0 :               0.00000000000000
                   +1 :               0.00011326731954
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00003937594835
                   +0 :              -0.00000000000000
                   +1 :              -0.00003937594835
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00011249738995
                   +0 :              -0.00000000000000
                   +1 :               0.00011249738995
                   +2 :              -0.00000794803539
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000581356641
                   +0 :               0.00000000000000
                   +1 :               0.00000581356641
                   +2 :               0.00000774834539
                4p
                   -1 :              -0.00011326731954
                   +0 :              -0.00000000000000
                   +1 :               0.00011326731954
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :              -0.00057509573972
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00051069445111
                4s
                   +0 :               0.00008785597174
                5s
                   +0 :               0.00016304763724
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00021101808279
                   +1 :               0.00000000000000
                   +2 :              -0.00050984512041
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000928841471
                   +1 :               0.00000000000000
                   +2 :              -0.00000466459491
                4p
                   -1 :               0.00000000000000
                   +1 :              -0.00042539637480
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00057509573972
                3p
                   -1 :              -0.00051069445111
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00008785597174
                5s
                   +0 :              -0.00016304763724
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00021101808279
                   +1 :               0.00000000000000
                   +2 :              -0.00050984512041
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000928841471
                   +1 :              -0.00000000000000
                   +2 :              -0.00000466459491
                4p
                   -1 :               0.00042539637480
                   +1 :              -0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00057509573972
                3p
                   -1 :               0.00051069445111
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00008785597174
                5s
                   +0 :              -0.00016304763724
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00021101808279
                   +1 :              -0.00000000000000
                   +2 :              -0.00050984512041
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000928841471
                   +1 :              -0.00000000000000
                   +2 :              -0.00000466459491
                4p
                   -1 :              -0.00042539637480
                   +1 :               0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :              -0.00057509573972
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00051069445111
                4s
                   +0 :               0.00008785597174
                5s
                   +0 :               0.00016304763724
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00021101808279
                   +1 :               0.00000000000000
                   +2 :              -0.00050984512041
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000928841471
                   +1 :               0.00000000000000
                   +2 :              -0.00000466459491
                4p
                   -1 :              -0.00000000000000
                   +1 :               0.00042539637480
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003690119419
                3p
                   -1 :               0.00004163909514
                   +1 :              -0.00002441779898
                4s
                   +0 :              -0.00082991102888
                5s
                   +0 :              -0.00019495330302
                3d
                   -2 :               0.00021552816189
                   -1 :              -0.00000000000000
                   +0 :              -0.00008434590600
                   +1 :              -0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :               0.00005514849662
                   -1 :              -0.00000000000000
                   +0 :               0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :              -0.00035489042865
                   +0 :               0.00000000000000
                   +1 :               0.00059037317438
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003690119419
                3p
                   -1 :              -0.00004163909514
                   +0 :              -0.00000000000000
                   +1 :              -0.00002441779898
                4s
                   +0 :              -0.00082991102888
                5s
                   +0 :              -0.00019495330302
                3d
                   -2 :              -0.00021552816189
                   -1 :              -0.00000000000000
                   +0 :              -0.00008434590600
                   +1 :              -0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :              -0.00005514849662
                   -1 :              -0.00000000000000
                   +0 :               0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :               0.00035489042865
                   +1 :               0.00059037317438
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00003690119419
                3p
                   -1 :               0.00002441779898
                   +0 :              -0.00000000000000
                   +1 :              -0.00004163909514
                4s
                   +0 :               0.00082991102888
                5s
                   +0 :               0.00019495330302
                3d
                   -2 :              -0.00021552816189
                   -1 :              -0.00000000000000
                   +0 :               0.00008434590600
                   +1 :               0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :              -0.00005514849662
                   -1 :              -0.00000000000000
                   +0 :              -0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :              -0.00059037317438
                   +1 :               0.00035489042865
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00003690119419
                3p
                   -1 :              -0.00002441779898
                   +0 :              -0.00000000000000
                   +1 :              -0.00004163909514
                4s
                   +0 :               0.00082991102888
                5s
                   +0 :               0.00019495330302
                3d
                   -2 :               0.00021552816189
                   -1 :               0.00000000000000
                   +0 :               0.00008434590600
                   +1 :               0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :               0.00005514849662
                   -1 :               0.00000000000000
                   +0 :              -0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :               0.00059037317438
                   +0 :              -0.00000000000000
                   +1 :               0.00035489042865
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00003690119419
                3p
                   -1 :               0.00002441779898
                   +0 :              -0.00000000000000
                   +1 :               0.00004163909514
                4s
                   +0 :               0.00082991102888
                5s
                   +0 :               0.00019495330302
                3d
                   -2 :               0.00021552816189
                   -1 :               0.00000000000000
                   +0 :               0.00008434590600
                   +1 :               0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :               0.00005514849662
                   -1 :               0.00000000000000
                   +0 :              -0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :              -0.00059037317438
                   +0 :              -0.00000000000000
                   +1 :              -0.00035489042865
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                3s
                   +0 :              -0.00003690119419
                3p
                   -1 :              -0.00002441779898
                   +0 :               0.00000000000000
                   +1 :               0.00004163909514
                4s
                   +0 :               0.00082991102888
                5s
                   +0 :               0.00019495330302
                3d
                   -2 :              -0.00021552816189
                   -1 :              -0.00000000000000
                   +0 :               0.00008434590600
                   +1 :               0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :              -0.00005514849662
                   -1 :              -0.00000000000000
                   +0 :              -0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :               0.00059037317438
                   +0 :               0.00000000000000
                   +1 :              -0.00035489042865
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003690119419
                3p
                   -1 :               0.00004163909514
                   +0 :              -0.00000000000000
                   +1 :               0.00002441779898
                4s
                   +0 :              -0.00082991102888
                5s
                   +0 :              -0.00019495330302
                3d
                   -2 :              -0.00021552816189
                   -1 :              -0.00000000000000
                   +0 :              -0.00008434590600
                   +1 :              -0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :              -0.00005514849662
                   -1 :              -0.00000000000000
                   +0 :               0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :              -0.00035489042865
                   +1 :              -0.00059037317438
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00003690119419
                3p
                   -1 :              -0.00004163909514
                   +0 :              -0.00000000000000
                   +1 :               0.00002441779898
                4s
                   +0 :              -0.00082991102888
                5s
                   +0 :              -0.00019495330302
                3d
                   -2 :               0.00021552816189
                   +0 :              -0.00008434590600
                   +1 :              -0.00000000000000
                   +2 :              -0.00013422130697
                4d
                   -2 :               0.00005514849662
                   -1 :              -0.00000000000000
                   +0 :               0.00001598596832
                   +1 :              -0.00000000000000
                   +2 :              -0.00005460557706
                4p
                   -1 :               0.00035489042865
                   +0 :              -0.00000000000000
                   +1 :              -0.00059037317438
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :               0.00001494571218
                   +0 :               0.00000856717530
                   +1 :               0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :               0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :               0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :               0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :              -0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00011556442285
                   +0 :               0.00006287367361
                   +1 :              -0.00000083739018
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :               0.00001494571218
                   +0 :              -0.00000856717530
                   +1 :               0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :              -0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :              -0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :              -0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :               0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00011556442285
                   +0 :              -0.00006287367361
                   +1 :              -0.00000083739018
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :              -0.00001494571218
                   +0 :               0.00000856717530
                   +1 :               0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :              -0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :               0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :              -0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :              -0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00011556442285
                   +0 :               0.00006287367361
                   +1 :              -0.00000083739018
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :              -0.00001494571218
                   +0 :              -0.00000856717530
                   +1 :               0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :               0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :              -0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :               0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :               0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00011556442285
                   +0 :              -0.00006287367361
                   +1 :              -0.00000083739018
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :              -0.00000246109724
                   +0 :              -0.00000856717530
                   +1 :              -0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :              -0.00000107150398
                   +0 :               0.00004799972207
                   +1 :              -0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :               0.00000429546886
                   +0 :               0.00000306628622
                   +1 :              -0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00000083739018
                   +0 :              -0.00006287367361
                   +1 :               0.00011556442285
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :              -0.00000246109724
                   +0 :               0.00000856717530
                   +1 :              -0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :               0.00000107150398
                   +0 :               0.00004799972207
                   +1 :               0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :              -0.00000429546886
                   +0 :               0.00000306628622
                   +1 :               0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00000083739018
                   +0 :               0.00006287367361
                   +1 :               0.00011556442285
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :               0.00000246109724
                   +0 :              -0.00000856717530
                   +1 :              -0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :               0.00000107150398
                   +0 :               0.00004799972207
                   +1 :              -0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :              -0.00000429546886
                   +0 :               0.00000306628622
                   +1 :              -0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00000083739018
                   +0 :              -0.00006287367361
                   +1 :               0.00011556442285
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :               0.00000246109724
                   +0 :               0.00000856717530
                   +1 :              -0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :              -0.00000107150398
                   +0 :               0.00004799972207
                   +1 :               0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :               0.00000429546886
                   +0 :               0.00000306628622
                   +1 :               0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00000083739018
                   +0 :               0.00006287367361
                   +1 :               0.00011556442285
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :              -0.00000246109724
                   +0 :              -0.00000856717530
                   +1 :               0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :              -0.00000107150398
                   +0 :               0.00004799972207
                   +1 :               0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :               0.00000429546886
                   +0 :               0.00000306628622
                   +1 :               0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00000083739018
                   +0 :              -0.00006287367361
                   +1 :              -0.00011556442285
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :              -0.00000246109724
                   +0 :               0.00000856717530
                   +1 :               0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :               0.00000107150398
                   +0 :               0.00004799972207
                   +1 :              -0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :              -0.00000429546886
                   +0 :               0.00000306628622
                   +1 :              -0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00000083739018
                   +0 :               0.00006287367361
                   +1 :              -0.00011556442285
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :               0.00000246109724
                   +0 :              -0.00000856717530
                   +1 :               0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :               0.00000107150398
                   +0 :               0.00004799972207
                   +1 :               0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :              -0.00000429546886
                   +0 :               0.00000306628622
                   +1 :               0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00000083739018
                   +0 :              -0.00006287367361
                   +1 :              -0.00011556442285
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                3s
                   +0 :              -0.00001548283265
                3p
                   -1 :               0.00000246109724
                   +0 :               0.00000856717530
                   +1 :               0.00001494571218
                4s
                   +0 :               0.00014900532715
                5s
                   +0 :              -0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :              -0.00000107150398
                   +0 :               0.00004799972207
                   +1 :              -0.00007179772639
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :               0.00000429546886
                   +0 :               0.00000306628622
                   +1 :              -0.00001420019014
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00000083739018
                   +0 :               0.00006287367361
                   +1 :              -0.00011556442285
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :               0.00001494571218
                   +0 :               0.00000856717530
                   +1 :              -0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :               0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :              -0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :               0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :               0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00011556442285
                   +0 :               0.00006287367361
                   +1 :               0.00000083739018
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :               0.00001494571218
                   +0 :              -0.00000856717530
                   +1 :              -0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :              -0.00003898483108
                   -1 :              -0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :               0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :              -0.00001153613651
                   -1 :              -0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :              -0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :              -0.00011556442285
                   +0 :              -0.00006287367361
                   +1 :               0.00000083739018
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :              -0.00001494571218
                   +0 :               0.00000856717530
                   +1 :              -0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :              -0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :              -0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :              -0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :               0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00011556442285
                   +0 :               0.00006287367361
                   +1 :               0.00000083739018
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                3s
                   +0 :               0.00001548283265
                3p
                   -1 :              -0.00001494571218
                   +0 :              -0.00000856717530
                   +1 :              -0.00000246109724
                4s
                   +0 :              -0.00014900532715
                5s
                   +0 :               0.00004131410401
                3d
                   -2 :               0.00003898483108
                   -1 :               0.00007179772639
                   +0 :              -0.00004799972207
                   +1 :               0.00000107150398
                   +2 :              -0.00002757674030
                4d
                   -2 :               0.00001153613651
                   -1 :               0.00001420019014
                   +0 :              -0.00000306628622
                   +1 :              -0.00000429546886
                   +2 :              -0.00000161451632
                4p
                   -1 :               0.00011556442285
                   +0 :              -0.00006287367361
                   +1 :               0.00000083739018
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site O (  4)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.01134179695100
                2s
                   +0 :              -0.15034301039809
                3s
                   +0 :               0.02558174405699
                2p
                   -1 :               0.03839403720928
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.02951062855752
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00439844758398
                   +1 :              -0.00000000000000
                   +2 :               0.00808147348710
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                1s
                   +0 :               0.01134179695100
                2s
                   +0 :              -0.15034301039809
                3s
                   +0 :               0.02558174405699
                2p
                   -1 :              -0.03839403720928
                   +1 :               0.00000000000000
                3p
                   -1 :               0.02951062855752
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00439844758398
                   +1 :               0.00000000000000
                   +2 :               0.00808147348710
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00111139474198
                2s
                   +0 :               0.01048987729939
                3s
                   +0 :              -0.00230183271393
                2p
                   -1 :              -0.00922772292137
                   +0 :               0.00000000000000
                   +1 :              -0.00329988367215
                3p
                   -1 :               0.00211462117587
                   +0 :              -0.00000000000000
                   +1 :               0.00079326706410
                3d
                   -2 :               0.00035150846745
                   -1 :               0.00000000000000
                   +0 :              -0.00006001728687
                   +1 :               0.00000000000000
                   +2 :              -0.00042138705644
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00111139474198
                2s
                   +0 :               0.01048987729939
                3s
                   +0 :              -0.00230183271393
                2p
                   -1 :               0.00922772292137
                   +1 :              -0.00329988367215
                3p
                   -1 :              -0.00211462117587
                   +0 :               0.00000000000000
                   +1 :               0.00079326706410
                3d
                   -2 :              -0.00035150846745
                   -1 :              -0.00000000000000
                   +0 :              -0.00006001728687
                   +1 :               0.00000000000000
                   +2 :              -0.00042138705644
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00111139474198
                2s
                   +0 :               0.01048987729939
                3s
                   +0 :              -0.00230183271393
                2p
                   -1 :              -0.00922772292137
                   +0 :              -0.00000000000000
                   +1 :               0.00329988367215
                3p
                   -1 :               0.00211462117587
                   +0 :               0.00000000000000
                   +1 :              -0.00079326706410
                3d
                   -2 :              -0.00035150846745
                   -1 :              -0.00000000000000
                   +0 :              -0.00006001728687
                   +2 :              -0.00042138705644
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                1s
                   +0 :              -0.00111139474198
                2s
                   +0 :               0.01048987729939
                3s
                   +0 :              -0.00230183271393
                2p
                   -1 :               0.00922772292137
                   +1 :               0.00329988367215
                3p
                   -1 :              -0.00211462117587
                   +1 :              -0.00079326706410
                3d
                   -2 :               0.00035150846745
                   -1 :               0.00000000000000
                   +0 :              -0.00006001728687
                   +1 :               0.00000000000000
                   +2 :              -0.00042138705644
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00035333856318
                2s
                   +0 :              -0.00205345508438
                3s
                   +0 :               0.00082936657193
                2p
                   -1 :               0.00657049208555
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00214564784514
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00007675443722
                   +1 :               0.00000000000000
                   +2 :               0.00016460168704
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                1s
                   +0 :               0.00035333856318
                2s
                   +0 :              -0.00205345508438
                3s
                   +0 :               0.00082936657193
                2p
                   -1 :              -0.00657049208555
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00214564784514
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00007675443722
                   +1 :               0.00000000000000
                   +2 :               0.00016460168704
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00026454358019
                2s
                   +0 :              -0.00337007790212
                3s
                   +0 :               0.00068574308563
                2p
                   -1 :               0.00128999816539
                   +0 :               0.00000000000000
                   +1 :               0.00162194811594
                3p
                   -1 :              -0.00019794775633
                   +1 :              -0.00041661258943
                3d
                   -2 :              -0.00012456421487
                   -1 :              -0.00000000000000
                   +0 :               0.00005889450530
                   +1 :              -0.00000000000000
                   +2 :               0.00004328450236
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00026454358019
                2s
                   +0 :              -0.00337007790212
                3s
                   +0 :               0.00068574308563
                2p
                   -1 :              -0.00128999816539
                   +1 :               0.00162194811594
                3p
                   -1 :               0.00019794775633
                   +0 :              -0.00000000000000
                   +1 :              -0.00041661258943
                3d
                   -2 :               0.00012456421487
                   -1 :               0.00000000000000
                   +0 :               0.00005889450530
                   +1 :              -0.00000000000000
                   +2 :               0.00004328450236
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00026454358019
                2s
                   +0 :              -0.00337007790212
                3s
                   +0 :               0.00068574308563
                2p
                   -1 :               0.00128999816539
                   +1 :              -0.00162194811594
                3p
                   -1 :              -0.00019794775633
                   +1 :               0.00041661258943
                3d
                   -2 :               0.00012456421487
                   -1 :               0.00000000000000
                   +0 :               0.00005889450530
                   +1 :              -0.00000000000000
                   +2 :               0.00004328450236
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                1s
                   +0 :               0.00026454358019
                2s
                   +0 :              -0.00337007790212
                3s
                   +0 :               0.00068574308563
                2p
                   -1 :              -0.00128999816539
                   +0 :               0.00000000000000
                   +1 :              -0.00162194811594
                3p
                   -1 :               0.00019794775633
                   +0 :               0.00000000000000
                   +1 :               0.00041661258943
                3d
                   -2 :              -0.00012456421487
                   -1 :              -0.00000000000000
                   +0 :               0.00005889450530
                   +1 :              -0.00000000000000
                   +2 :               0.00004328450236
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00003724525902
                2s
                   +0 :               0.00063743375171
                3s
                   +0 :              -0.00012653487860
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00040475839384
                   +1 :               0.00079766460775
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008518771337
                   +1 :              -0.00030466917201
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000184164255
                   +1 :               0.00002866482842
                   +2 :               0.00000323531939
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00003724525902
                2s
                   +0 :               0.00063743375171
                3s
                   +0 :              -0.00012653487860
                2p
                   +0 :               0.00040475839384
                   +1 :               0.00079766460775
                3p
                   +0 :              -0.00008518771337
                   +1 :              -0.00030466917201
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000184164255
                   +1 :              -0.00002866482842
                   +2 :               0.00000323531939
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00003724525902
                2s
                   +0 :               0.00063743375171
                3s
                   +0 :              -0.00012653487860
                2p
                   +0 :              -0.00040475839384
                   +1 :              -0.00079766460775
                3p
                   +0 :               0.00008518771337
                   +1 :               0.00030466917201
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000184164255
                   +1 :              -0.00002866482842
                   +2 :               0.00000323531939
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                1s
                   +0 :              -0.00003724525902
                2s
                   +0 :               0.00063743375171
                3s
                   +0 :              -0.00012653487860
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00040475839384
                   +1 :              -0.00079766460775
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00008518771337
                   +1 :               0.00030466917201
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000184164255
                   +1 :               0.00002866482842
                   +2 :               0.00000323531939
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000298955772
                2s
                   +0 :               0.00001339270401
                3s
                   +0 :              -0.00002469877747
                2p
                   -1 :              -0.00026249418576
                   +1 :               0.00004232540543
                3p
                   -1 :               0.00007571561351
                   +0 :               0.00000000000000
                   +1 :               0.00001272956951
                3d
                   -2 :              -0.00001699049076
                   -1 :              -0.00000000000000
                   +0 :              -0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000298955772
                2s
                   +0 :               0.00001339270401
                3s
                   +0 :              -0.00002469877747
                2p
                   -1 :               0.00026249418576
                   +0 :              -0.00000000000000
                   +1 :               0.00004232540543
                3p
                   -1 :              -0.00007571561351
                   +1 :               0.00001272956951
                3d
                   -2 :               0.00001699049076
                   -1 :              -0.00000000000000
                   +0 :              -0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000298955772
                2s
                   +0 :               0.00001339270401
                3s
                   +0 :              -0.00002469877747
                2p
                   -1 :              -0.00026249418576
                   +0 :              -0.00000000000000
                   +1 :              -0.00004232540543
                3p
                   -1 :               0.00007571561351
                   +1 :              -0.00001272956951
                3d
                   -2 :               0.00001699049076
                   -1 :              -0.00000000000000
                   +0 :              -0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                1s
                   +0 :               0.00000298955772
                2s
                   +0 :               0.00001339270401
                3s
                   +0 :              -0.00002469877747
                2p
                   -1 :               0.00026249418576
                   +1 :              -0.00004232540543
                3p
                   -1 :              -0.00007571561351
                   +0 :               0.00000000000000
                   +1 :              -0.00001272956951
                3d
                   -2 :              -0.00001699049076
                   -1 :              -0.00000000000000
                   +0 :              -0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :               0.00004888808736
                   +0 :               0.00009896744682
                   +1 :               0.00022277170096
                3p
                   -1 :              -0.00003623519629
                   +0 :              -0.00000356718274
                   +1 :               0.00004689752418
                3d
                   -2 :              -0.00000151403069
                   -1 :               0.00000095313305
                   +0 :               0.00001356572728
                   +1 :              -0.00001876158695
                   +2 :              -0.00001646321611
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :               0.00004888808736
                   +0 :              -0.00009896744682
                   +1 :               0.00022277170096
                3p
                   -1 :              -0.00003623519629
                   +0 :               0.00000356718274
                   +1 :               0.00004689752418
                3d
                   -2 :              -0.00000151403069
                   -1 :              -0.00000095313305
                   +0 :               0.00001356572728
                   +1 :               0.00001876158695
                   +2 :              -0.00001646321611
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :              -0.00004888808736
                   +0 :               0.00009896744682
                   +1 :               0.00022277170096
                3p
                   -1 :               0.00003623519629
                   +0 :              -0.00000356718274
                   +1 :               0.00004689752418
                3d
                   -2 :               0.00000151403069
                   -1 :              -0.00000095313305
                   +0 :               0.00001356572728
                   +1 :              -0.00001876158695
                   +2 :              -0.00001646321611
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :              -0.00004888808736
                   +0 :              -0.00009896744682
                   +1 :               0.00022277170096
                3p
                   -1 :               0.00003623519629
                   +0 :               0.00000356718274
                   +1 :               0.00004689752418
                3d
                   -2 :               0.00000151403069
                   -1 :               0.00000095313305
                   +0 :               0.00001356572728
                   +1 :               0.00001876158695
                   +2 :              -0.00001646321611
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :               0.00004888808736
                   +0 :               0.00009896744682
                   +1 :              -0.00022277170096
                3p
                   -1 :              -0.00003623519629
                   +0 :              -0.00000356718274
                   +1 :              -0.00004689752418
                3d
                   -2 :               0.00000151403069
                   -1 :               0.00000095313305
                   +0 :               0.00001356572728
                   +1 :               0.00001876158695
                   +2 :              -0.00001646321611
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :               0.00004888808736
                   +0 :              -0.00009896744682
                   +1 :              -0.00022277170096
                3p
                   -1 :              -0.00003623519629
                   +0 :               0.00000356718274
                   +1 :              -0.00004689752418
                3d
                   -2 :               0.00000151403069
                   -1 :              -0.00000095313305
                   +0 :               0.00001356572728
                   +1 :              -0.00001876158695
                   +2 :              -0.00001646321611
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :              -0.00004888808736
                   +0 :               0.00009896744682
                   +1 :              -0.00022277170096
                3p
                   -1 :               0.00003623519629
                   +0 :              -0.00000356718274
                   +1 :              -0.00004689752418
                3d
                   -2 :              -0.00000151403069
                   -1 :              -0.00000095313305
                   +0 :               0.00001356572728
                   +1 :               0.00001876158695
                   +2 :              -0.00001646321611
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                1s
                   +0 :               0.00002040467658
                2s
                   +0 :              -0.00035316102374
                3s
                   +0 :               0.00003944030131
                2p
                   -1 :              -0.00004888808736
                   +0 :              -0.00009896744682
                   +1 :              -0.00022277170096
                3p
                   -1 :               0.00003623519629
                   +0 :               0.00000356718274
                   +1 :              -0.00004689752418
                3d
                   -2 :              -0.00000151403069
                   -1 :               0.00000095313305
                   +0 :               0.00001356572728
                   +1 :              -0.00001876158695
                   +2 :              -0.00001646321611
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000519754826
                2s
                   +0 :              -0.00000189734422
                3s
                   +0 :               0.00010605048968
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00018318737328
                   +1 :              -0.00010307841831
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00009271357733
                   +1 :              -0.00011316350151
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002052798784
                   +1 :               0.00002904302912
                   +2 :               0.00003225698022
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000519754826
                2s
                   +0 :              -0.00000189734422
                3s
                   +0 :               0.00010605048968
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00018318737328
                   +1 :              -0.00010307841831
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00009271357733
                   +1 :              -0.00011316350151
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002052798784
                   +1 :              -0.00002904302912
                   +2 :               0.00003225698022
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000519754826
                2s
                   +0 :              -0.00000189734422
                3s
                   +0 :               0.00010605048968
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00018318737328
                   +1 :               0.00010307841831
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00009271357733
                   +1 :               0.00011316350151
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002052798784
                   +1 :              -0.00002904302912
                   +2 :               0.00003225698022
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                1s
                   +0 :               0.00000519754826
                2s
                   +0 :              -0.00000189734422
                3s
                   +0 :               0.00010605048968
                2p
                   +0 :              -0.00018318737328
                   +1 :               0.00010307841831
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00009271357733
                   +1 :               0.00011316350151
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002052798784
                   +1 :               0.00002904302912
                   +2 :               0.00003225698022
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00006200760237
                2s
                   +0 :               0.00083967728847
                3s
                   +0 :              -0.00015161127282
                2p
                   -1 :              -0.00063923204814
                   +1 :              -0.00044828886548
                3p
                   -1 :               0.00005211433578
                   +0 :               0.00000000000000
                   +1 :               0.00008440320761
                3d
                   -2 :               0.00003428693806
                   -1 :               0.00000000000000
                   +0 :              -0.00001794227842
                   +1 :               0.00000000000000
                   +2 :               0.00000303652419
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00006200760237
                2s
                   +0 :               0.00083967728847
                3s
                   +0 :              -0.00015161127282
                2p
                   -1 :               0.00063923204814
                   +0 :              -0.00000000000000
                   +1 :              -0.00044828886548
                3p
                   -1 :              -0.00005211433578
                   +0 :              -0.00000000000000
                   +1 :               0.00008440320761
                3d
                   -2 :              -0.00003428693806
                   -1 :              -0.00000000000000
                   +0 :              -0.00001794227842
                   +2 :               0.00000303652419
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00001680558253
                2s
                   +0 :              -0.00021407342603
                3s
                   +0 :               0.00008344097252
                2p
                   -1 :               0.00002174393715
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00006866121003
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001767379856
                   +1 :               0.00000000000000
                   +2 :              -0.00001197579628
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00001680558253
                2s
                   +0 :              -0.00021407342603
                3s
                   +0 :               0.00008344097252
                2p
                   -1 :              -0.00002174393715
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00006866121003
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001767379856
                   +1 :               0.00000000000000
                   +2 :              -0.00001197579628
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00006200760237
                2s
                   +0 :               0.00083967728847
                3s
                   +0 :              -0.00015161127282
                2p
                   -1 :              -0.00063923204814
                   +0 :              -0.00000000000000
                   +1 :               0.00044828886548
                3p
                   -1 :               0.00005211433578
                   +0 :              -0.00000000000000
                   +1 :              -0.00008440320761
                3d
                   -2 :              -0.00003428693806
                   -1 :              -0.00000000000000
                   +0 :              -0.00001794227842
                   +2 :               0.00000303652419
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00006200760237
                2s
                   +0 :               0.00083967728847
                3s
                   +0 :              -0.00015161127282
                2p
                   -1 :               0.00063923204814
                   +1 :               0.00044828886548
                3p
                   -1 :              -0.00005211433578
                   +0 :              -0.00000000000000
                   +1 :              -0.00008440320761
                3d
                   -2 :               0.00003428693806
                   -1 :               0.00000000000000
                   +0 :              -0.00001794227842
                   +1 :               0.00000000000000
                   +2 :               0.00000303652419
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :              -0.00017371996797
                   +0 :              -0.00025661031240
                   +1 :              -0.00009925544110
                3p
                   -1 :               0.00003139299942
                   +0 :               0.00005691221212
                   +1 :               0.00003495883087
                3d
                   -2 :               0.00000292924131
                   -1 :               0.00000444706181
                   +0 :               0.00000401683792
                   +1 :              -0.00000474634184
                   +2 :              -0.00000464857570
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :              -0.00017371996797
                   +0 :               0.00025661031240
                   +1 :              -0.00009925544110
                3p
                   -1 :               0.00003139299942
                   +0 :              -0.00005691221212
                   +1 :               0.00003495883087
                3d
                   -2 :               0.00000292924131
                   -1 :              -0.00000444706181
                   +0 :               0.00000401683792
                   +1 :               0.00000474634184
                   +2 :              -0.00000464857570
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :               0.00017371996797
                   +0 :              -0.00025661031240
                   +1 :              -0.00009925544110
                3p
                   -1 :              -0.00003139299942
                   +0 :               0.00005691221212
                   +1 :               0.00003495883087
                3d
                   -2 :              -0.00000292924131
                   -1 :              -0.00000444706181
                   +0 :               0.00000401683792
                   +1 :              -0.00000474634184
                   +2 :              -0.00000464857570
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :               0.00017371996797
                   +0 :               0.00025661031240
                   +1 :              -0.00009925544110
                3p
                   -1 :              -0.00003139299942
                   +0 :              -0.00005691221212
                   +1 :               0.00003495883087
                3d
                   -2 :              -0.00000292924131
                   -1 :               0.00000444706181
                   +0 :               0.00000401683792
                   +1 :               0.00000474634184
                   +2 :              -0.00000464857570
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :              -0.00017371996797
                   +0 :              -0.00025661031240
                   +1 :               0.00009925544110
                3p
                   -1 :               0.00003139299942
                   +0 :               0.00005691221212
                   +1 :              -0.00003495883087
                3d
                   -2 :              -0.00000292924131
                   -1 :               0.00000444706181
                   +0 :               0.00000401683792
                   +1 :               0.00000474634184
                   +2 :              -0.00000464857570
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :              -0.00017371996797
                   +0 :               0.00025661031240
                   +1 :               0.00009925544110
                3p
                   -1 :               0.00003139299942
                   +0 :              -0.00005691221212
                   +1 :              -0.00003495883087
                3d
                   -2 :              -0.00000292924131
                   -1 :              -0.00000444706181
                   +0 :               0.00000401683792
                   +1 :              -0.00000474634184
                   +2 :              -0.00000464857570
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :               0.00017371996797
                   +0 :              -0.00025661031240
                   +1 :               0.00009925544110
                3p
                   -1 :              -0.00003139299942
                   +0 :               0.00005691221212
                   +1 :              -0.00003495883087
                3d
                   -2 :               0.00000292924131
                   -1 :              -0.00000444706181
                   +0 :               0.00000401683792
                   +1 :               0.00000474634184
                   +2 :              -0.00000464857570
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                1s
                   +0 :              -0.00002317414048
                2s
                   +0 :               0.00031564944443
                3s
                   +0 :              -0.00007827914552
                2p
                   -1 :               0.00017371996797
                   +0 :               0.00025661031240
                   +1 :               0.00009925544110
                3p
                   -1 :              -0.00003139299942
                   +0 :              -0.00005691221212
                   +1 :              -0.00003495883087
                3d
                   -2 :               0.00000292924131
                   -1 :               0.00000444706181
                   +0 :               0.00000401683792
                   +1 :              -0.00000474634184
                   +2 :              -0.00000464857570
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site O (  5)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                1s
                   +0 :              -0.01134179695100
                2s
                   +0 :               0.15034301039809
                3s
                   +0 :              -0.02558174405699
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.03839403720928
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.02951062855752
                3d
                   -2 :               0.00000000000000
                   +0 :              -0.00439844758398
                   +1 :              -0.00000000000000
                   +2 :               0.00808147348710
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                1s
                   +0 :              -0.01134179695100
                2s
                   +0 :               0.15034301039809
                3s
                   +0 :              -0.02558174405699
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.03839403720928
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.02951062855752
                3d
                   -2 :               0.00000000000000
                   +0 :              -0.00439844758398
                   +1 :              -0.00000000000000
                   +2 :               0.00808147348710
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00111139474198
                2s
                   +0 :              -0.01048987729939
                3s
                   +0 :               0.00230183271393
                2p
                   -1 :               0.00329988367215
                   +0 :               0.00000000000000
                   +1 :               0.00922772292137
                3p
                   -1 :              -0.00079326706410
                   +0 :               0.00000000000000
                   +1 :              -0.00211462117587
                3d
                   -2 :              -0.00035150846745
                   +0 :               0.00006001728687
                   +1 :              -0.00000000000000
                   +2 :              -0.00042138705644
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00111139474198
                2s
                   +0 :              -0.01048987729939
                3s
                   +0 :               0.00230183271393
                2p
                   -1 :              -0.00329988367215
                   +0 :               0.00000000000000
                   +1 :               0.00922772292137
                3p
                   -1 :               0.00079326706410
                   +1 :              -0.00211462117587
                3d
                   -2 :               0.00035150846745
                   -1 :              -0.00000000000000
                   +0 :               0.00006001728687
                   +1 :               0.00000000000000
                   +2 :              -0.00042138705644
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00111139474198
                2s
                   +0 :              -0.01048987729939
                3s
                   +0 :               0.00230183271393
                2p
                   -1 :               0.00329988367215
                   +0 :               0.00000000000000
                   +1 :              -0.00922772292137
                3p
                   -1 :              -0.00079326706410
                   +0 :              -0.00000000000000
                   +1 :               0.00211462117587
                3d
                   -2 :               0.00035150846745
                   -1 :              -0.00000000000000
                   +0 :               0.00006001728687
                   +1 :               0.00000000000000
                   +2 :              -0.00042138705644
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                1s
                   +0 :               0.00111139474198
                2s
                   +0 :              -0.01048987729939
                3s
                   +0 :               0.00230183271393
                2p
                   -1 :              -0.00329988367215
                   +0 :              -0.00000000000000
                   +1 :              -0.00922772292137
                3p
                   -1 :               0.00079326706410
                   +0 :               0.00000000000000
                   +1 :               0.00211462117587
                3d
                   -2 :              -0.00035150846745
                   +0 :               0.00006001728687
                   +1 :              -0.00000000000000
                   +2 :              -0.00042138705644
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :              -0.00035333856318
                2s
                   +0 :               0.00205345508438
                3s
                   +0 :              -0.00082936657193
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00657049208555
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00214564784514
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007675443722
                   +1 :               0.00000000000000
                   +2 :               0.00016460168704
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                1s
                   +0 :              -0.00035333856318
                2s
                   +0 :               0.00205345508438
                3s
                   +0 :              -0.00082936657193
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00657049208555
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00214564784514
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00007675443722
                   +1 :               0.00000000000000
                   +2 :               0.00016460168704
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00026454358019
                2s
                   +0 :               0.00337007790212
                3s
                   +0 :              -0.00068574308563
                2p
                   -1 :              -0.00162194811594
                   +0 :              -0.00000000000000
                   +1 :              -0.00128999816539
                3p
                   -1 :               0.00041661258943
                   +1 :               0.00019794775633
                3d
                   -2 :               0.00012456421487
                   -1 :               0.00000000000000
                   +0 :              -0.00005889450530
                   +1 :               0.00000000000000
                   +2 :               0.00004328450236
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00026454358019
                2s
                   +0 :               0.00337007790212
                3s
                   +0 :              -0.00068574308563
                2p
                   -1 :               0.00162194811594
                   +0 :              -0.00000000000000
                   +1 :              -0.00128999816539
                3p
                   -1 :              -0.00041661258943
                   +1 :               0.00019794775633
                3d
                   -2 :              -0.00012456421487
                   -1 :              -0.00000000000000
                   +0 :              -0.00005889450530
                   +1 :              -0.00000000000000
                   +2 :               0.00004328450236
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00026454358019
                2s
                   +0 :               0.00337007790212
                3s
                   +0 :              -0.00068574308563
                2p
                   -1 :              -0.00162194811594
                   +0 :              -0.00000000000000
                   +1 :               0.00128999816539
                3p
                   -1 :               0.00041661258943
                   +1 :              -0.00019794775633
                3d
                   -2 :              -0.00012456421487
                   -1 :              -0.00000000000000
                   +0 :              -0.00005889450530
                   +1 :              -0.00000000000000
                   +2 :               0.00004328450236
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                1s
                   +0 :              -0.00026454358019
                2s
                   +0 :               0.00337007790212
                3s
                   +0 :              -0.00068574308563
                2p
                   -1 :               0.00162194811594
                   +0 :              -0.00000000000000
                   +1 :               0.00128999816539
                3p
                   -1 :              -0.00041661258943
                   +1 :              -0.00019794775633
                3d
                   -2 :               0.00012456421487
                   -1 :               0.00000000000000
                   +0 :              -0.00005889450530
                   +1 :               0.00000000000000
                   +2 :               0.00004328450236
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00003724525902
                2s
                   +0 :              -0.00063743375171
                3s
                   +0 :               0.00012653487860
                2p
                   -1 :              -0.00079766460775
                   +0 :               0.00040475839384
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00030466917201
                   +0 :              -0.00008518771337
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002866482842
                   +0 :              -0.00000184164255
                   +1 :               0.00000000000000
                   +2 :               0.00000323531939
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00003724525902
                2s
                   +0 :              -0.00063743375171
                3s
                   +0 :               0.00012653487860
                2p
                   -1 :              -0.00079766460775
                   +0 :              -0.00040475839384
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00030466917201
                   +0 :               0.00008518771337
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002866482842
                   +0 :              -0.00000184164255
                   +1 :              -0.00000000000000
                   +2 :               0.00000323531939
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00003724525902
                2s
                   +0 :              -0.00063743375171
                3s
                   +0 :               0.00012653487860
                2p
                   -1 :               0.00079766460775
                   +0 :               0.00040475839384
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00030466917201
                   +0 :              -0.00008518771337
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002866482842
                   +0 :              -0.00000184164255
                   +1 :              -0.00000000000000
                   +2 :               0.00000323531939
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                1s
                   +0 :               0.00003724525902
                2s
                   +0 :              -0.00063743375171
                3s
                   +0 :               0.00012653487860
                2p
                   -1 :               0.00079766460775
                   +0 :              -0.00040475839384
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00030466917201
                   +0 :               0.00008518771337
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002866482842
                   +0 :              -0.00000184164255
                   +1 :               0.00000000000000
                   +2 :               0.00000323531939
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000298955772
                2s
                   +0 :              -0.00001339270401
                3s
                   +0 :               0.00002469877747
                2p
                   -1 :              -0.00004232540543
                   +0 :              -0.00000000000000
                   +1 :               0.00026249418576
                3p
                   -1 :              -0.00001272956951
                   +0 :              -0.00000000000000
                   +1 :              -0.00007571561351
                3d
                   -2 :               0.00001699049076
                   -1 :              -0.00000000000000
                   +0 :               0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000298955772
                2s
                   +0 :              -0.00001339270401
                3s
                   +0 :               0.00002469877747
                2p
                   -1 :               0.00004232540543
                   +0 :               0.00000000000000
                   +1 :               0.00026249418576
                3p
                   -1 :               0.00001272956951
                   +0 :               0.00000000000000
                   +1 :              -0.00007571561351
                3d
                   -2 :              -0.00001699049076
                   -1 :               0.00000000000000
                   +0 :               0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000298955772
                2s
                   +0 :              -0.00001339270401
                3s
                   +0 :               0.00002469877747
                2p
                   -1 :              -0.00004232540543
                   +0 :              -0.00000000000000
                   +1 :              -0.00026249418576
                3p
                   -1 :              -0.00001272956951
                   +1 :               0.00007571561351
                3d
                   -2 :              -0.00001699049076
                   -1 :               0.00000000000000
                   +0 :               0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                1s
                   +0 :              -0.00000298955772
                2s
                   +0 :              -0.00001339270401
                3s
                   +0 :               0.00002469877747
                2p
                   -1 :               0.00004232540543
                   +0 :              -0.00000000000000
                   +1 :              -0.00026249418576
                3p
                   -1 :               0.00001272956951
                   +1 :               0.00007571561351
                3d
                   -2 :               0.00001699049076
                   -1 :               0.00000000000000
                   +0 :               0.00002235946780
                   +1 :               0.00000000000000
                   +2 :              -0.00003526406116
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :              -0.00022277170096
                   +0 :              -0.00009896744682
                   +1 :              -0.00004888808736
                3p
                   -1 :              -0.00004689752418
                   +0 :               0.00000356718274
                   +1 :               0.00003623519629
                3d
                   -2 :               0.00000151403069
                   -1 :               0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :              -0.00000095313305
                   +2 :              -0.00001646321611
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :              -0.00022277170096
                   +0 :               0.00009896744682
                   +1 :              -0.00004888808736
                3p
                   -1 :              -0.00004689752418
                   +0 :              -0.00000356718274
                   +1 :               0.00003623519629
                3d
                   -2 :               0.00000151403069
                   -1 :              -0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :               0.00000095313305
                   +2 :              -0.00001646321611
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :               0.00022277170096
                   +0 :              -0.00009896744682
                   +1 :              -0.00004888808736
                3p
                   -1 :               0.00004689752418
                   +0 :               0.00000356718274
                   +1 :               0.00003623519629
                3d
                   -2 :              -0.00000151403069
                   -1 :              -0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :              -0.00000095313305
                   +2 :              -0.00001646321611
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :               0.00022277170096
                   +0 :               0.00009896744682
                   +1 :              -0.00004888808736
                3p
                   -1 :               0.00004689752418
                   +0 :              -0.00000356718274
                   +1 :               0.00003623519629
                3d
                   -2 :              -0.00000151403069
                   -1 :               0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :               0.00000095313305
                   +2 :              -0.00001646321611
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :              -0.00022277170096
                   +0 :              -0.00009896744682
                   +1 :               0.00004888808736
                3p
                   -1 :              -0.00004689752418
                   +0 :               0.00000356718274
                   +1 :              -0.00003623519629
                3d
                   -2 :              -0.00000151403069
                   -1 :               0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :               0.00000095313305
                   +2 :              -0.00001646321611
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :              -0.00022277170096
                   +0 :               0.00009896744682
                   +1 :               0.00004888808736
                3p
                   -1 :              -0.00004689752418
                   +0 :              -0.00000356718274
                   +1 :              -0.00003623519629
                3d
                   -2 :              -0.00000151403069
                   -1 :              -0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :              -0.00000095313305
                   +2 :              -0.00001646321611
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :               0.00022277170096
                   +0 :              -0.00009896744682
                   +1 :               0.00004888808736
                3p
                   -1 :               0.00004689752418
                   +0 :               0.00000356718274
                   +1 :              -0.00003623519629
                3d
                   -2 :               0.00000151403069
                   -1 :              -0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :               0.00000095313305
                   +2 :              -0.00001646321611
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                1s
                   +0 :              -0.00002040467658
                2s
                   +0 :               0.00035316102374
                3s
                   +0 :              -0.00003944030131
                2p
                   -1 :               0.00022277170096
                   +0 :               0.00009896744682
                   +1 :               0.00004888808736
                3p
                   -1 :               0.00004689752418
                   +0 :              -0.00000356718274
                   +1 :              -0.00003623519629
                3d
                   -2 :               0.00000151403069
                   -1 :               0.00001876158695
                   +0 :              -0.00001356572728
                   +1 :              -0.00000095313305
                   +2 :              -0.00001646321611
             29 vec=    -0.000000    -10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000519754826
                2s
                   +0 :               0.00000189734422
                3s
                   +0 :              -0.00010605048968
                2p
                   -1 :               0.00010307841831
                   +0 :              -0.00018318737328
                3p
                   -1 :               0.00011316350151
                   +0 :               0.00009271357733
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002904302912
                   +0 :               0.00002052798784
                   +1 :               0.00000000000000
                   +2 :               0.00003225698022
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000519754826
                2s
                   +0 :               0.00000189734422
                3s
                   +0 :              -0.00010605048968
                2p
                   -1 :               0.00010307841831
                   +0 :               0.00018318737328
                3p
                   -1 :               0.00011316350151
                   +0 :              -0.00009271357733
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002904302912
                   +0 :               0.00002052798784
                   +1 :              -0.00000000000000
                   +2 :               0.00003225698022
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000519754826
                2s
                   +0 :               0.00000189734422
                3s
                   +0 :              -0.00010605048968
                2p
                   -1 :              -0.00010307841831
                   +0 :              -0.00018318737328
                3p
                   -1 :              -0.00011316350151
                   +0 :               0.00009271357733
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002904302912
                   +0 :               0.00002052798784
                   +1 :              -0.00000000000000
                   +2 :               0.00003225698022
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                1s
                   +0 :              -0.00000519754826
                2s
                   +0 :               0.00000189734422
                3s
                   +0 :              -0.00010605048968
                2p
                   -1 :              -0.00010307841831
                   +0 :               0.00018318737328
                3p
                   -1 :              -0.00011316350151
                   +0 :              -0.00009271357733
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002904302912
                   +0 :               0.00002052798784
                   +1 :               0.00000000000000
                   +2 :               0.00003225698022
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00001680558253
                2s
                   +0 :               0.00021407342603
                3s
                   +0 :              -0.00008344097252
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00002174393715
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00006866121003
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00001767379856
                   +1 :              -0.00000000000000
                   +2 :              -0.00001197579628
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00006200760237
                2s
                   +0 :              -0.00083967728847
                3s
                   +0 :               0.00015161127282
                2p
                   -1 :               0.00044828886548
                   +1 :               0.00063923204814
                3p
                   -1 :              -0.00008440320761
                   +0 :               0.00000000000000
                   +1 :              -0.00005211433578
                3d
                   -2 :              -0.00003428693806
                   -1 :              -0.00000000000000
                   +0 :               0.00001794227842
                   +1 :              -0.00000000000000
                   +2 :               0.00000303652419
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00006200760237
                2s
                   +0 :              -0.00083967728847
                3s
                   +0 :               0.00015161127282
                2p
                   -1 :              -0.00044828886548
                   +0 :              -0.00000000000000
                   +1 :               0.00063923204814
                3p
                   -1 :               0.00008440320761
                   +1 :              -0.00005211433578
                3d
                   -2 :               0.00003428693806
                   +0 :               0.00001794227842
                   +1 :               0.00000000000000
                   +2 :               0.00000303652419
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00006200760237
                2s
                   +0 :              -0.00083967728847
                3s
                   +0 :               0.00015161127282
                2p
                   -1 :               0.00044828886548
                   +0 :              -0.00000000000000
                   +1 :              -0.00063923204814
                3p
                   -1 :              -0.00008440320761
                   +1 :               0.00005211433578
                3d
                   -2 :               0.00003428693806
                   -1 :              -0.00000000000000
                   +0 :               0.00001794227842
                   +1 :               0.00000000000000
                   +2 :               0.00000303652419
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                1s
                   +0 :               0.00006200760237
                2s
                   +0 :              -0.00083967728847
                3s
                   +0 :               0.00015161127282
                2p
                   -1 :              -0.00044828886548
                   +1 :              -0.00063923204814
                3p
                   -1 :               0.00008440320761
                   +0 :               0.00000000000000
                   +1 :               0.00005211433578
                3d
                   -2 :              -0.00003428693806
                   +0 :               0.00001794227842
                   +1 :              -0.00000000000000
                   +2 :               0.00000303652419
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                1s
                   +0 :              -0.00001680558253
                2s
                   +0 :               0.00021407342603
                3s
                   +0 :              -0.00008344097252
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00002174393715
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00006866121003
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001767379856
                   +1 :              -0.00000000000000
                   +2 :              -0.00001197579628
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :               0.00009925544110
                   +0 :               0.00025661031240
                   +1 :               0.00017371996797
                3p
                   -1 :              -0.00003495883087
                   +0 :              -0.00005691221212
                   +1 :              -0.00003139299942
                3d
                   -2 :              -0.00000292924131
                   -1 :               0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :              -0.00000444706181
                   +2 :              -0.00000464857570
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :               0.00009925544110
                   +0 :              -0.00025661031240
                   +1 :               0.00017371996797
                3p
                   -1 :              -0.00003495883087
                   +0 :               0.00005691221212
                   +1 :              -0.00003139299942
                3d
                   -2 :              -0.00000292924131
                   -1 :              -0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :               0.00000444706181
                   +2 :              -0.00000464857570
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :              -0.00009925544110
                   +0 :               0.00025661031240
                   +1 :               0.00017371996797
                3p
                   -1 :               0.00003495883087
                   +0 :              -0.00005691221212
                   +1 :              -0.00003139299942
                3d
                   -2 :               0.00000292924131
                   -1 :              -0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :              -0.00000444706181
                   +2 :              -0.00000464857570
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :              -0.00009925544110
                   +0 :              -0.00025661031240
                   +1 :               0.00017371996797
                3p
                   -1 :               0.00003495883087
                   +0 :               0.00005691221212
                   +1 :              -0.00003139299942
                3d
                   -2 :               0.00000292924131
                   -1 :               0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :               0.00000444706181
                   +2 :              -0.00000464857570
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :               0.00009925544110
                   +0 :               0.00025661031240
                   +1 :              -0.00017371996797
                3p
                   -1 :              -0.00003495883087
                   +0 :              -0.00005691221212
                   +1 :               0.00003139299942
                3d
                   -2 :               0.00000292924131
                   -1 :               0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :               0.00000444706181
                   +2 :              -0.00000464857570
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :               0.00009925544110
                   +0 :              -0.00025661031240
                   +1 :              -0.00017371996797
                3p
                   -1 :              -0.00003495883087
                   +0 :               0.00005691221212
                   +1 :               0.00003139299942
                3d
                   -2 :               0.00000292924131
                   -1 :              -0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :              -0.00000444706181
                   +2 :              -0.00000464857570
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :              -0.00009925544110
                   +0 :               0.00025661031240
                   +1 :              -0.00017371996797
                3p
                   -1 :               0.00003495883087
                   +0 :              -0.00005691221212
                   +1 :               0.00003139299942
                3d
                   -2 :              -0.00000292924131
                   -1 :              -0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :               0.00000444706181
                   +2 :              -0.00000464857570
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                1s
                   +0 :               0.00002317414048
                2s
                   +0 :              -0.00031564944443
                3s
                   +0 :               0.00007827914552
                2p
                   -1 :              -0.00009925544110
                   +0 :              -0.00025661031240
                   +1 :              -0.00017371996797
                3p
                   -1 :               0.00003495883087
                   +0 :               0.00005691221212
                   +1 :               0.00003139299942
                3d
                   -2 :              -0.00000292924131
                   -1 :               0.00000474634184
                   +0 :              -0.00000401683792
                   +1 :              -0.00000444706181
                   +2 :              -0.00000464857570
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site O (  6)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00025730902761
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00028850322193
                2s
                   +0 :               0.00421550515904
                3s
                   +0 :               0.00000085371663
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00522059571822
                   +1 :               0.00084861707625
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00041175546551
                   +1 :              -0.00039045334791
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00025782679617
                   +1 :              -0.00031625889092
                   +2 :              -0.00001876138892
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00028850322193
                2s
                   +0 :              -0.00421550515904
                3s
                   +0 :              -0.00000085371663
                2p
                   -1 :              -0.00084861707625
                   +0 :              -0.00522059571822
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00039045334791
                   +0 :               0.00041175546551
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00031625889092
                   +0 :              -0.00025782679617
                   +1 :              -0.00000000000000
                   +2 :              -0.00001876138892
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00028850322193
                2s
                   +0 :              -0.00421550515904
                3s
                   +0 :              -0.00000085371663
                2p
                   -1 :               0.00084861707625
                   +0 :              -0.00522059571822
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00039045334791
                   +0 :               0.00041175546551
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00031625889092
                   +0 :              -0.00025782679617
                   +1 :               0.00000000000000
                   +2 :              -0.00001876138892
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00028850322193
                2s
                   +0 :               0.00421550515904
                3s
                   +0 :               0.00000085371663
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00522059571822
                   +1 :              -0.00084861707625
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00041175546551
                   +1 :               0.00039045334791
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00025782679617
                   +1 :               0.00031625889092
                   +2 :              -0.00001876138892
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00156928824349
                   +0 :              -0.00000000000000
                   +1 :              -0.00156928824349
                3p
                   -1 :              -0.00026944657340
                   +0 :              -0.00000000000000
                   +1 :               0.00026944657340
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000069159569
                   +0 :              -0.00000000000000
                   +1 :               0.00000069159569
                   +2 :              -0.00001090094627
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00156928824349
                   +0 :              -0.00000000000000
                   +1 :              -0.00156928824349
                3p
                   -1 :               0.00026944657340
                   +0 :               0.00000000000000
                   +1 :               0.00026944657340
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000069159569
                   +0 :               0.00000000000000
                   +1 :               0.00000069159569
                   +2 :              -0.00001090094627
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00156928824349
                   +0 :              -0.00000000000000
                   +1 :               0.00156928824349
                3p
                   -1 :              -0.00026944657340
                   +1 :              -0.00026944657340
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000069159569
                   +0 :               0.00000000000000
                   +1 :              -0.00000069159569
                   +2 :              -0.00001090094627
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00156928824349
                   +0 :               0.00000000000000
                   +1 :               0.00156928824349
                3p
                   -1 :               0.00026944657340
                   +0 :              -0.00000000000000
                   +1 :              -0.00026944657340
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000069159569
                   +0 :              -0.00000000000000
                   +1 :              -0.00000069159569
                   +2 :              -0.00001090094627
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00004297070460
                   +0 :              -0.00000000000000
                   +1 :               0.00004297070460
                3p
                   -1 :               0.00017916648020
                   +0 :              -0.00000000000000
                   +1 :              -0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00006776167887
                   +1 :               0.00006776167887
                   +2 :               0.00002896076602
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00004297070460
                   +0 :               0.00000000000000
                   +1 :               0.00004297070460
                3p
                   -1 :              -0.00017916648020
                   +0 :               0.00000000000000
                   +1 :              -0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00006776167887
                   +0 :               0.00000000000000
                   +1 :               0.00006776167887
                   +2 :               0.00002896076602
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00004297070460
                   +0 :               0.00000000000000
                   +1 :              -0.00004297070460
                3p
                   -1 :               0.00017916648020
                   +0 :               0.00000000000000
                   +1 :               0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00006776167887
                   +0 :               0.00000000000000
                   +1 :              -0.00006776167887
                   +2 :               0.00002896076602
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00004297070460
                   +0 :               0.00000000000000
                   +1 :              -0.00004297070460
                3p
                   -1 :              -0.00017916648020
                   +0 :              -0.00000000000000
                   +1 :               0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00006776167887
                   +1 :              -0.00006776167887
                   +2 :               0.00002896076602
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :              -0.00085731613641
                   +0 :              -0.00044796872036
                   +1 :               0.00048562548358
                3p
                   -1 :               0.00014466421664
                   +0 :               0.00008932431060
                   +1 :              -0.00002254718384
                3d
                   -2 :               0.00000020257349
                   -1 :               0.00004147714638
                   +0 :               0.00000108920702
                   +1 :              -0.00000576089920
                   +2 :              -0.00002348257371
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :               0.00085731613641
                   +0 :              -0.00044796872036
                   +1 :               0.00048562548358
                3p
                   -1 :              -0.00014466421664
                   +0 :               0.00008932431060
                   +1 :              -0.00002254718384
                3d
                   -2 :              -0.00000020257349
                   -1 :              -0.00004147714638
                   +0 :               0.00000108920702
                   +1 :              -0.00000576089920
                   +2 :              -0.00002348257371
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :              -0.00048562548358
                   +0 :               0.00044796872036
                   +1 :               0.00085731613641
                3p
                   -1 :               0.00002254718384
                   +0 :              -0.00008932431060
                   +1 :              -0.00014466421664
                3d
                   -2 :              -0.00000020257349
                   -1 :               0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :              -0.00004147714638
                   +2 :              -0.00002348257371
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :               0.00048562548358
                   +0 :               0.00044796872036
                   +1 :               0.00085731613641
                3p
                   -1 :              -0.00002254718384
                   +0 :              -0.00008932431060
                   +1 :              -0.00014466421664
                3d
                   -2 :               0.00000020257349
                   -1 :              -0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :              -0.00004147714638
                   +2 :              -0.00002348257371
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :              -0.00048562548358
                   +0 :               0.00044796872036
                   +1 :              -0.00085731613641
                3p
                   -1 :               0.00002254718384
                   +0 :              -0.00008932431060
                   +1 :               0.00014466421664
                3d
                   -2 :               0.00000020257349
                   -1 :               0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :               0.00004147714638
                   +2 :              -0.00002348257371
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :               0.00048562548358
                   +0 :               0.00044796872036
                   +1 :              -0.00085731613641
                3p
                   -1 :              -0.00002254718384
                   +0 :              -0.00008932431060
                   +1 :               0.00014466421664
                3d
                   -2 :              -0.00000020257349
                   -1 :              -0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :               0.00004147714638
                   +2 :              -0.00002348257371
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :              -0.00085731613641
                   +0 :              -0.00044796872036
                   +1 :              -0.00048562548358
                3p
                   -1 :               0.00014466421664
                   +0 :               0.00008932431060
                   +1 :               0.00002254718384
                3d
                   -2 :              -0.00000020257349
                   -1 :               0.00004147714638
                   +0 :               0.00000108920702
                   +1 :               0.00000576089920
                   +2 :              -0.00002348257371
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :               0.00085731613641
                   +0 :              -0.00044796872036
                   +1 :              -0.00048562548358
                3p
                   -1 :              -0.00014466421664
                   +0 :               0.00008932431060
                   +1 :               0.00002254718384
                3d
                   -2 :               0.00000020257349
                   -1 :              -0.00004147714638
                   +0 :               0.00000108920702
                   +1 :               0.00000576089920
                   +2 :              -0.00002348257371
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00004798575021
                2s
                   +0 :               0.00109200382677
                3s
                   +0 :              -0.00027708056488
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00013530677823
                   +1 :              -0.00108308662201
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00001210913426
                   +1 :               0.00025348303763
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001752686574
                   +1 :               0.00003478390953
                   +2 :               0.00003016843709
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00004798575021
                2s
                   +0 :              -0.00109200382677
                3s
                   +0 :               0.00027708056488
                2p
                   -1 :               0.00108308662201
                   +0 :               0.00013530677823
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00025348303763
                   +0 :               0.00001210913426
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00003478390953
                   +0 :               0.00001752686574
                   +1 :               0.00000000000000
                   +2 :               0.00003016843709
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00004798575021
                2s
                   +0 :              -0.00109200382677
                3s
                   +0 :               0.00027708056488
                2p
                   -1 :              -0.00108308662201
                   +0 :               0.00013530677823
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00025348303763
                   +0 :               0.00001210913426
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003478390953
                   +0 :               0.00001752686574
                   +1 :              -0.00000000000000
                   +2 :               0.00003016843709
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00004798575021
                2s
                   +0 :               0.00109200382677
                3s
                   +0 :              -0.00027708056488
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00013530677823
                   +1 :               0.00108308662201
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00001210913426
                   +1 :              -0.00025348303763
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001752686574
                   +1 :              -0.00003478390953
                   +2 :               0.00003016843709
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :              -0.00010111857344
                   +0 :               0.00025887767473
                   +1 :               0.00034728292772
                3p
                   -1 :              -0.00007807874754
                   +0 :              -0.00002503708506
                   +1 :              -0.00009861477333
                3d
                   -2 :               0.00001459836741
                   -1 :               0.00001340473467
                   +0 :               0.00001509064717
                   +1 :              -0.00002082025907
                   +2 :              -0.00000256119086
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :               0.00010111857344
                   +0 :               0.00025887767473
                   +1 :               0.00034728292772
                3p
                   -1 :               0.00007807874754
                   +0 :              -0.00002503708506
                   +1 :              -0.00009861477333
                3d
                   -2 :              -0.00001459836741
                   -1 :              -0.00001340473467
                   +0 :               0.00001509064717
                   +1 :              -0.00002082025907
                   +2 :              -0.00000256119086
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :              -0.00034728292772
                   +0 :              -0.00025887767473
                   +1 :               0.00010111857344
                3p
                   -1 :               0.00009861477333
                   +0 :               0.00002503708506
                   +1 :               0.00007807874754
                3d
                   -2 :              -0.00001459836741
                   -1 :               0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :              -0.00001340473467
                   +2 :              -0.00000256119086
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :               0.00034728292772
                   +0 :              -0.00025887767473
                   +1 :               0.00010111857344
                3p
                   -1 :              -0.00009861477333
                   +0 :               0.00002503708506
                   +1 :               0.00007807874754
                3d
                   -2 :               0.00001459836741
                   -1 :              -0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :              -0.00001340473467
                   +2 :              -0.00000256119086
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :              -0.00034728292772
                   +0 :              -0.00025887767473
                   +1 :              -0.00010111857344
                3p
                   -1 :               0.00009861477333
                   +0 :               0.00002503708506
                   +1 :              -0.00007807874754
                3d
                   -2 :               0.00001459836741
                   -1 :               0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :               0.00001340473467
                   +2 :              -0.00000256119086
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :               0.00034728292772
                   +0 :              -0.00025887767473
                   +1 :              -0.00010111857344
                3p
                   -1 :              -0.00009861477333
                   +0 :               0.00002503708506
                   +1 :              -0.00007807874754
                3d
                   -2 :              -0.00001459836741
                   -1 :              -0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :               0.00001340473467
                   +2 :              -0.00000256119086
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :              -0.00010111857344
                   +0 :               0.00025887767473
                   +1 :              -0.00034728292772
                3p
                   -1 :              -0.00007807874754
                   +0 :              -0.00002503708506
                   +1 :               0.00009861477333
                3d
                   -2 :              -0.00001459836741
                   -1 :               0.00001340473467
                   +0 :               0.00001509064717
                   +1 :               0.00002082025907
                   +2 :              -0.00000256119086
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :               0.00010111857344
                   +0 :               0.00025887767473
                   +1 :              -0.00034728292772
                3p
                   -1 :               0.00007807874754
                   +0 :              -0.00002503708506
                   +1 :               0.00009861477333
                3d
                   -2 :               0.00001459836741
                   -1 :              -0.00001340473467
                   +0 :               0.00001509064717
                   +1 :               0.00002082025907
                   +2 :              -0.00000256119086
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00032972451922
                   +0 :              -0.00000000000000
                   +1 :              -0.00032972451922
                3p
                   -1 :              -0.00003688757603
                   +0 :              -0.00000000000000
                   +1 :               0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001182245493
                   +0 :              -0.00000000000000
                   +1 :               0.00001182245493
                   +2 :               0.00000232141416
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00032972451922
                   +0 :               0.00000000000000
                   +1 :              -0.00032972451922
                3p
                   -1 :               0.00003688757603
                   +0 :               0.00000000000000
                   +1 :               0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001182245493
                   +1 :               0.00001182245493
                   +2 :               0.00000232141416
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00032972451922
                   +0 :               0.00000000000000
                   +1 :               0.00032972451922
                3p
                   -1 :              -0.00003688757603
                   +0 :               0.00000000000000
                   +1 :              -0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001182245493
                   +0 :               0.00000000000000
                   +1 :              -0.00001182245493
                   +2 :               0.00000232141416
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00032972451922
                   +1 :               0.00032972451922
                3p
                   -1 :               0.00003688757603
                   +0 :              -0.00000000000000
                   +1 :              -0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001182245493
                   +1 :              -0.00001182245493
                   +2 :               0.00000232141416
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00001582087647
                   +0 :              -0.00000000000000
                   +1 :               0.00001582087647
                3p
                   -1 :              -0.00002055703327
                   +0 :               0.00000000000000
                   +1 :               0.00002055703327
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000294515909
                   +0 :               0.00000000000000
                   +1 :               0.00000294515909
                   +2 :              -0.00000777735879
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00001582087647
                   +0 :               0.00000000000000
                   +1 :               0.00001582087647
                3p
                   -1 :               0.00002055703327
                   +0 :              -0.00000000000000
                   +1 :               0.00002055703327
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000294515909
                   +0 :              -0.00000000000000
                   +1 :               0.00000294515909
                   +2 :              -0.00000777735879
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00001582087647
                   +0 :               0.00000000000000
                   +1 :              -0.00001582087647
                3p
                   -1 :              -0.00002055703327
                   +0 :              -0.00000000000000
                   +1 :              -0.00002055703327
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000294515909
                   +0 :              -0.00000000000000
                   +1 :              -0.00000294515909
                   +2 :              -0.00000777735879
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00001582087647
                   +0 :              -0.00000000000000
                   +1 :              -0.00001582087647
                3p
                   -1 :               0.00002055703327
                   +0 :               0.00000000000000
                   +1 :              -0.00002055703327
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000294515909
                   +0 :               0.00000000000000
                   +1 :              -0.00000294515909
                   +2 :              -0.00000777735879
WF             site_B          number of pairs
WF(  5)=[Cu 3d2]  to site O (  7)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00025730902761
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00028850322193
                2s
                   +0 :               0.00421550515904
                3s
                   +0 :               0.00000085371663
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00522059571822
                   +1 :               0.00084861707625
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00041175546551
                   +1 :              -0.00039045334791
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00025782679617
                   +1 :               0.00031625889092
                   +2 :              -0.00001876138892
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00028850322193
                2s
                   +0 :              -0.00421550515904
                3s
                   +0 :              -0.00000085371663
                2p
                   -1 :              -0.00084861707625
                   +0 :               0.00522059571822
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00039045334791
                   +0 :              -0.00041175546551
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00031625889092
                   +0 :              -0.00025782679617
                   +1 :               0.00000000000000
                   +2 :              -0.00001876138892
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                1s
                   +0 :               0.00028850322193
                2s
                   +0 :              -0.00421550515904
                3s
                   +0 :              -0.00000085371663
                2p
                   -1 :               0.00084861707625
                   +0 :               0.00522059571822
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00039045334791
                   +0 :              -0.00041175546551
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00031625889092
                   +0 :              -0.00025782679617
                   +1 :              -0.00000000000000
                   +2 :              -0.00001876138892
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                1s
                   +0 :              -0.00028850322193
                2s
                   +0 :               0.00421550515904
                3s
                   +0 :               0.00000085371663
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00522059571822
                   +1 :              -0.00084861707625
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00041175546551
                   +1 :               0.00039045334791
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00025782679617
                   +1 :              -0.00031625889092
                   +2 :              -0.00001876138892
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00156928824349
                   +0 :              -0.00000000000000
                   +1 :              -0.00156928824349
                3p
                   -1 :              -0.00026944657340
                   +0 :               0.00000000000000
                   +1 :               0.00026944657340
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000069159569
                   +0 :              -0.00000000000000
                   +1 :              -0.00000069159569
                   +2 :              -0.00001090094627
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00156928824349
                   +0 :              -0.00000000000000
                   +1 :              -0.00156928824349
                3p
                   -1 :               0.00026944657340
                   +1 :               0.00026944657340
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000069159569
                   +0 :               0.00000000000000
                   +1 :              -0.00000069159569
                   +2 :              -0.00001090094627
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00156928824349
                   +0 :               0.00000000000000
                   +1 :               0.00156928824349
                3p
                   -1 :              -0.00026944657340
                   +1 :              -0.00026944657340
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000069159569
                   +0 :               0.00000000000000
                   +1 :               0.00000069159569
                   +2 :              -0.00001090094627
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00156928824349
                   +0 :              -0.00000000000000
                   +1 :               0.00156928824349
                3p
                   -1 :               0.00026944657340
                   +0 :               0.00000000000000
                   +1 :              -0.00026944657340
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000069159569
                   +0 :              -0.00000000000000
                   +1 :               0.00000069159569
                   +2 :              -0.00001090094627
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00004297070460
                   +1 :               0.00004297070460
                3p
                   -1 :               0.00017916648020
                   +0 :               0.00000000000000
                   +1 :              -0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00006776167887
                   +0 :              -0.00000000000000
                   +1 :              -0.00006776167887
                   +2 :               0.00002896076602
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00004297070460
                   +0 :               0.00000000000000
                   +1 :               0.00004297070460
                3p
                   -1 :              -0.00017916648020
                   +0 :              -0.00000000000000
                   +1 :              -0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00006776167887
                   +0 :               0.00000000000000
                   +1 :              -0.00006776167887
                   +2 :               0.00002896076602
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00004297070460
                   +0 :              -0.00000000000000
                   +1 :              -0.00004297070460
                3p
                   -1 :               0.00017916648020
                   +0 :              -0.00000000000000
                   +1 :               0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00006776167887
                   +0 :               0.00000000000000
                   +1 :               0.00006776167887
                   +2 :               0.00002896076602
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                1s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00004297070460
                   +1 :              -0.00004297070460
                3p
                   -1 :              -0.00017916648020
                   +0 :               0.00000000000000
                   +1 :               0.00017916648020
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00006776167887
                   +0 :               0.00000000000000
                   +1 :               0.00006776167887
                   +2 :               0.00002896076602
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :              -0.00085731613641
                   +0 :               0.00044796872036
                   +1 :               0.00048562548358
                3p
                   -1 :               0.00014466421664
                   +0 :              -0.00008932431060
                   +1 :              -0.00002254718384
                3d
                   -2 :               0.00000020257349
                   -1 :              -0.00004147714638
                   +0 :               0.00000108920702
                   +1 :               0.00000576089920
                   +2 :              -0.00002348257371
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :               0.00085731613641
                   +0 :               0.00044796872036
                   +1 :               0.00048562548358
                3p
                   -1 :              -0.00014466421664
                   +0 :              -0.00008932431060
                   +1 :              -0.00002254718384
                3d
                   -2 :              -0.00000020257349
                   -1 :               0.00004147714638
                   +0 :               0.00000108920702
                   +1 :               0.00000576089920
                   +2 :              -0.00002348257371
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :              -0.00048562548358
                   +0 :              -0.00044796872036
                   +1 :               0.00085731613641
                3p
                   -1 :               0.00002254718384
                   +0 :               0.00008932431060
                   +1 :              -0.00014466421664
                3d
                   -2 :              -0.00000020257349
                   -1 :              -0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :               0.00004147714638
                   +2 :              -0.00002348257371
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :               0.00048562548358
                   +0 :              -0.00044796872036
                   +1 :               0.00085731613641
                3p
                   -1 :              -0.00002254718384
                   +0 :               0.00008932431060
                   +1 :              -0.00014466421664
                3d
                   -2 :               0.00000020257349
                   -1 :               0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :               0.00004147714638
                   +2 :              -0.00002348257371
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :              -0.00048562548358
                   +0 :              -0.00044796872036
                   +1 :              -0.00085731613641
                3p
                   -1 :               0.00002254718384
                   +0 :               0.00008932431060
                   +1 :               0.00014466421664
                3d
                   -2 :               0.00000020257349
                   -1 :              -0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :              -0.00004147714638
                   +2 :              -0.00002348257371
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                1s
                   +0 :               0.00002141001411
                2s
                   +0 :              -0.00034118787923
                3s
                   +0 :               0.00007938123577
                2p
                   -1 :               0.00048562548358
                   +0 :              -0.00044796872036
                   +1 :              -0.00085731613641
                3p
                   -1 :              -0.00002254718384
                   +0 :               0.00008932431060
                   +1 :               0.00014466421664
                3d
                   -2 :              -0.00000020257349
                   -1 :               0.00000576089920
                   +0 :              -0.00000108920702
                   +1 :              -0.00004147714638
                   +2 :              -0.00002348257371
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :              -0.00085731613641
                   +0 :               0.00044796872036
                   +1 :              -0.00048562548358
                3p
                   -1 :               0.00014466421664
                   +0 :              -0.00008932431060
                   +1 :               0.00002254718384
                3d
                   -2 :              -0.00000020257349
                   -1 :              -0.00004147714638
                   +0 :               0.00000108920702
                   +1 :              -0.00000576089920
                   +2 :              -0.00002348257371
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                1s
                   +0 :              -0.00002141001411
                2s
                   +0 :               0.00034118787923
                3s
                   +0 :              -0.00007938123577
                2p
                   -1 :               0.00085731613641
                   +0 :               0.00044796872036
                   +1 :              -0.00048562548358
                3p
                   -1 :              -0.00014466421664
                   +0 :              -0.00008932431060
                   +1 :               0.00002254718384
                3d
                   -2 :               0.00000020257349
                   -1 :               0.00004147714638
                   +0 :               0.00000108920702
                   +1 :              -0.00000576089920
                   +2 :              -0.00002348257371
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00004798575021
                2s
                   +0 :               0.00109200382677
                3s
                   +0 :              -0.00027708056488
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00013530677823
                   +1 :              -0.00108308662201
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00001210913426
                   +1 :               0.00025348303763
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001752686574
                   +1 :              -0.00003478390953
                   +2 :               0.00003016843709
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00004798575021
                2s
                   +0 :              -0.00109200382677
                3s
                   +0 :               0.00027708056488
                2p
                   -1 :               0.00108308662201
                   +0 :              -0.00013530677823
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00025348303763
                   +0 :              -0.00001210913426
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003478390953
                   +0 :               0.00001752686574
                   +1 :              -0.00000000000000
                   +2 :               0.00003016843709
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                1s
                   +0 :               0.00004798575021
                2s
                   +0 :              -0.00109200382677
                3s
                   +0 :               0.00027708056488
                2p
                   -1 :              -0.00108308662201
                   +0 :              -0.00013530677823
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00025348303763
                   +0 :              -0.00001210913426
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00003478390953
                   +0 :               0.00001752686574
                   +1 :               0.00000000000000
                   +2 :               0.00003016843709
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                1s
                   +0 :              -0.00004798575021
                2s
                   +0 :               0.00109200382677
                3s
                   +0 :              -0.00027708056488
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00013530677823
                   +1 :               0.00108308662201
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00001210913426
                   +1 :              -0.00025348303763
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001752686574
                   +1 :               0.00003478390953
                   +2 :               0.00003016843709
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :              -0.00010111857344
                   +0 :              -0.00025887767473
                   +1 :               0.00034728292772
                3p
                   -1 :              -0.00007807874754
                   +0 :               0.00002503708506
                   +1 :              -0.00009861477333
                3d
                   -2 :               0.00001459836741
                   -1 :              -0.00001340473467
                   +0 :               0.00001509064717
                   +1 :               0.00002082025907
                   +2 :              -0.00000256119086
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :               0.00010111857344
                   +0 :              -0.00025887767473
                   +1 :               0.00034728292772
                3p
                   -1 :               0.00007807874754
                   +0 :               0.00002503708506
                   +1 :              -0.00009861477333
                3d
                   -2 :              -0.00001459836741
                   -1 :               0.00001340473467
                   +0 :               0.00001509064717
                   +1 :               0.00002082025907
                   +2 :              -0.00000256119086
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :              -0.00034728292772
                   +0 :               0.00025887767473
                   +1 :               0.00010111857344
                3p
                   -1 :               0.00009861477333
                   +0 :              -0.00002503708506
                   +1 :               0.00007807874754
                3d
                   -2 :              -0.00001459836741
                   -1 :              -0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :               0.00001340473467
                   +2 :              -0.00000256119086
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :               0.00034728292772
                   +0 :               0.00025887767473
                   +1 :               0.00010111857344
                3p
                   -1 :              -0.00009861477333
                   +0 :              -0.00002503708506
                   +1 :               0.00007807874754
                3d
                   -2 :               0.00001459836741
                   -1 :               0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :               0.00001340473467
                   +2 :              -0.00000256119086
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :              -0.00034728292772
                   +0 :               0.00025887767473
                   +1 :              -0.00010111857344
                3p
                   -1 :               0.00009861477333
                   +0 :              -0.00002503708506
                   +1 :              -0.00007807874754
                3d
                   -2 :               0.00001459836741
                   -1 :              -0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :              -0.00001340473467
                   +2 :              -0.00000256119086
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                1s
                   +0 :              -0.00001033427358
                2s
                   +0 :               0.00013761561138
                3s
                   +0 :              -0.00011163726936
                2p
                   -1 :               0.00034728292772
                   +0 :               0.00025887767473
                   +1 :              -0.00010111857344
                3p
                   -1 :              -0.00009861477333
                   +0 :              -0.00002503708506
                   +1 :              -0.00007807874754
                3d
                   -2 :              -0.00001459836741
                   -1 :               0.00002082025907
                   +0 :              -0.00001509064717
                   +1 :              -0.00001340473467
                   +2 :              -0.00000256119086
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :              -0.00010111857344
                   +0 :              -0.00025887767473
                   +1 :              -0.00034728292772
                3p
                   -1 :              -0.00007807874754
                   +0 :               0.00002503708506
                   +1 :               0.00009861477333
                3d
                   -2 :              -0.00001459836741
                   -1 :              -0.00001340473467
                   +0 :               0.00001509064717
                   +1 :              -0.00002082025907
                   +2 :              -0.00000256119086
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                1s
                   +0 :               0.00001033427358
                2s
                   +0 :              -0.00013761561138
                3s
                   +0 :               0.00011163726936
                2p
                   -1 :               0.00010111857344
                   +0 :              -0.00025887767473
                   +1 :              -0.00034728292772
                3p
                   -1 :               0.00007807874754
                   +0 :               0.00002503708506
                   +1 :               0.00009861477333
                3d
                   -2 :               0.00001459836741
                   -1 :               0.00001340473467
                   +0 :               0.00001509064717
                   +1 :              -0.00002082025907
                   +2 :              -0.00000256119086
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00032972451922
                   +0 :              -0.00000000000000
                   +1 :              -0.00032972451922
                3p
                   -1 :              -0.00003688757603
                   +0 :               0.00000000000000
                   +1 :               0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001182245493
                   +1 :              -0.00001182245493
                   +2 :               0.00000232141416
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00032972451922
                   +0 :              -0.00000000000000
                   +1 :              -0.00032972451922
                3p
                   -1 :               0.00003688757603
                   +0 :              -0.00000000000000
                   +1 :               0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001182245493
                   +0 :               0.00000000000000
                   +1 :              -0.00001182245493
                   +2 :               0.00000232141416
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00032972451922
                   +0 :              -0.00000000000000
                   +1 :               0.00032972451922
                3p
                   -1 :              -0.00003688757603
                   +0 :              -0.00000000000000
                   +1 :              -0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001182245493
                   +1 :               0.00001182245493
                   +2 :               0.00000232141416
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00032972451922
                   +0 :               0.00000000000000
                   +1 :               0.00032972451922
                3p
                   -1 :               0.00003688757603
                   +0 :               0.00000000000000
                   +1 :              -0.00003688757603
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001182245493
                   +0 :               0.00000000000000
                   +1 :               0.00001182245493
                   +2 :               0.00000232141416
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00001582087647
                   +0 :               0.00000000000000
                   +1 :               0.00001582087647
                3p
                   -1 :              -0.00002055703327
                   +0 :              -0.00000000000000
                   +1 :               0.00002055703327
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000294515909
                   +0 :               0.00000000000000
                   +1 :              -0.00000294515909
                   +2 :              -0.00000777735879
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00001582087647
                   +0 :              -0.00000000000000
                   +1 :               0.00001582087647
                3p
                   -1 :               0.00002055703327
                   +0 :               0.00000000000000
                   +1 :               0.00002055703327
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000294515909
                   +0 :              -0.00000000000000
                   +1 :              -0.00000294515909
                   +2 :              -0.00000777735879
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00001582087647
                   +0 :              -0.00000000000000
                   +1 :              -0.00001582087647
                3p
                   -1 :              -0.00002055703327
                   +0 :               0.00000000000000
                   +1 :              -0.00002055703327
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000294515909
                   +0 :              -0.00000000000000
                   +1 :               0.00000294515909
                   +2 :              -0.00000777735879
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00001582087647
                   +0 :               0.00000000000000
                   +1 :              -0.00001582087647
                3p
                   -1 :               0.00002055703327
                   +0 :              -0.00000000000000
                   +1 :              -0.00002055703327
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000294515909
                   +0 :               0.00000000000000
                   +1 :               0.00000294515909
                   +2 :              -0.00000777735879
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site La(  1)  npairs=  38
              1 vec=    -3.573189      0.000000     -3.505098   |vec|=    5.005336
                5p
                   -1 :               0.02910328511418
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.01667693088444
                   -1 :               0.01535145963283
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00255111465611
                   -1 :               0.00178926394110
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00163451824683
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.01379200407384
                   -2 :               0.01468034852992
                   -1 :               0.00386287948103
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
              2 vec=     3.573189      0.000000     -3.505098   |vec|=    5.005336
                5p
                   -1 :               0.02910328511418
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.01667693088444
                   -1 :               0.01535145963283
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00255111465611
                   -1 :               0.00178926394110
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00163451824683
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.01379200407384
                   -2 :              -0.01468034852992
                   -1 :               0.00386287948103
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              3 vec=    -3.573189     -7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :               0.00153785355987
                   +1 :               0.00171075535704
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :              -0.00404933359222
                   +0 :              -0.00255305956999
                   +1 :               0.00542152990548
                   +2 :              -0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :               0.00037202348397
                   +0 :               0.00022046193208
                   +1 :              -0.00027958929322
                   +2 :               0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :              -0.00014382720897
                   +1 :              -0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :               0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :              -0.00167976352224
                   +1 :              -0.00009224455394
                   +2 :               0.00084119807951
                   +3 :              -0.00476558286030
              4 vec=    -3.573189      7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :              -0.00153785355987
                   +1 :              -0.00171075535704
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :              -0.00404933359222
                   +0 :               0.00255305956999
                   +1 :              -0.00542152990548
                   +2 :               0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :               0.00037202348397
                   +0 :              -0.00022046193208
                   +1 :               0.00027958929322
                   +2 :              -0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :               0.00014382720897
                   +1 :               0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :               0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :               0.00167976352224
                   +1 :               0.00009224455394
                   +2 :              -0.00084119807951
                   +3 :               0.00476558286030
              5 vec=     3.573189     -7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :               0.00153785355987
                   +1 :              -0.00171075535704
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :              -0.00404933359222
                   +0 :              -0.00255305956999
                   +1 :              -0.00542152990548
                   +2 :              -0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :               0.00037202348397
                   +0 :               0.00022046193208
                   +1 :               0.00027958929322
                   +2 :               0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :              -0.00014382720897
                   +1 :               0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :              -0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :              -0.00167976352224
                   +1 :               0.00009224455394
                   +2 :               0.00084119807951
                   +3 :               0.00476558286030
              6 vec=     3.573189      7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :              -0.00153785355987
                   +1 :               0.00171075535704
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :              -0.00404933359222
                   +0 :               0.00255305956999
                   +1 :               0.00542152990548
                   +2 :               0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :               0.00037202348397
                   +0 :              -0.00022046193208
                   +1 :              -0.00027958929322
                   +2 :              -0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :               0.00014382720897
                   +1 :              -0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :              -0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :               0.00167976352224
                   +1 :              -0.00009224455394
                   +2 :              -0.00084119807951
                   +3 :              -0.00476558286030
              7 vec=     0.000000     -3.573189      9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00208865944991
                5p
                   -1 :               0.00094322479096
                   +0 :              -0.00033590607366
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00141032654848
                7s
                   +0 :               0.00017069621513
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00406455066887
                   +0 :              -0.00897293907408
                   +1 :              -0.00000000000000
                   +2 :               0.00008528570472
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00075572409552
                   +0 :              -0.00060024157340
                   +1 :              -0.00000000000000
                   +2 :              -0.00026880251410
                6p
                   -1 :               0.00025520968585
                   +0 :              -0.00003967430564
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00009876638000
                   -2 :              -0.00000000000000
                   -1 :               0.00250578971144
                   +0 :               0.00558693584323
                   +1 :              -0.00000000000000
                   +2 :               0.00003864114260
                   +3 :               0.00000000000000
              8 vec=     0.000000      3.573189      9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00208865944991
                5p
                   -1 :               0.00094322479096
                   +0 :               0.00033590607366
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00141032654848
                7s
                   +0 :              -0.00017069621513
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00406455066887
                   +0 :               0.00897293907408
                   +1 :               0.00000000000000
                   +2 :              -0.00008528570472
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00075572409552
                   +0 :               0.00060024157340
                   +1 :              -0.00000000000000
                   +2 :               0.00026880251410
                6p
                   -1 :               0.00025520968585
                   +0 :               0.00003967430564
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00009876638000
                   -2 :               0.00000000000000
                   -1 :               0.00250578971144
                   +0 :              -0.00558693584323
                   +1 :              -0.00000000000000
                   +2 :              -0.00003864114260
                   +3 :              -0.00000000000000
              9 vec=   -10.719566      0.000000     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00029078070305
                   +1 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00122700256175
                   -1 :              -0.00192705160065
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00020114507128
                   -1 :               0.00025222863514
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00003614197481
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00195443835939
                   -2 :              -0.00143093279932
                   -1 :               0.00021984671405
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             10 vec=    10.719566      0.000000     -3.505098   |vec|=   11.278067
                5p
                   -1 :               0.00029078070305
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00122700256175
                   -1 :              -0.00192705160065
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00020114507128
                   -1 :               0.00025222863514
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00003614197481
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00195443835939
                   -2 :               0.00143093279932
                   -1 :               0.00021984671405
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             11 vec=    -7.146377     -3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :               0.00085341790387
                   +1 :              -0.00009768541481
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :               0.00067387197714
                   +0 :              -0.00118935182401
                   +1 :              -0.00051877702655
                   +2 :              -0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :              -0.00003207569636
                   +0 :              -0.00014273884556
                   +1 :               0.00019280032792
                   +2 :               0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :              -0.00008039909467
                   +1 :               0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :               0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :               0.00076885044190
                   +1 :               0.00050828460201
                   +2 :               0.00020797975866
                   +3 :               0.00027840592503
             12 vec=    -7.146377      3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :              -0.00085341790387
                   +1 :               0.00009768541481
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :               0.00067387197714
                   +0 :               0.00118935182401
                   +1 :               0.00051877702655
                   +2 :               0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :              -0.00003207569636
                   +0 :               0.00014273884556
                   +1 :              -0.00019280032792
                   +2 :              -0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :               0.00008039909467
                   +1 :              -0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :               0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :              -0.00076885044190
                   +1 :              -0.00050828460201
                   +2 :              -0.00020797975866
                   +3 :              -0.00027840592503
             13 vec=     7.146377     -3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :               0.00085341790387
                   +1 :               0.00009768541481
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :               0.00067387197714
                   +0 :              -0.00118935182401
                   +1 :               0.00051877702655
                   +2 :              -0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :              -0.00003207569636
                   +0 :              -0.00014273884556
                   +1 :              -0.00019280032792
                   +2 :               0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :              -0.00008039909467
                   +1 :              -0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :              -0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :               0.00076885044190
                   +1 :              -0.00050828460201
                   +2 :               0.00020797975866
                   +3 :              -0.00027840592503
             14 vec=     7.146377      3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :              -0.00085341790387
                   +1 :              -0.00009768541481
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :               0.00067387197714
                   +0 :               0.00118935182401
                   +1 :              -0.00051877702655
                   +2 :               0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :              -0.00003207569636
                   +0 :               0.00014273884556
                   +1 :               0.00019280032792
                   +2 :              -0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :               0.00008039909467
                   +1 :               0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :              -0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :              -0.00076885044190
                   +1 :               0.00050828460201
                   +2 :              -0.00020797975866
                   +3 :               0.00027840592503
             15 vec=   -10.719566     -7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :              -0.00061606247036
                   +1 :              -0.00041918100902
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :               0.00155724003845
                   +0 :              -0.00076017000323
                   +1 :              -0.00199822969099
                   +2 :               0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :              -0.00016191293557
                   +0 :               0.00007475620987
                   +1 :               0.00015305489981
                   +2 :              -0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :              -0.00008969314720
                   +1 :              -0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :               0.00064463080895
                   -1 :               0.00018920888062
                   +0 :              -0.00020318662879
                   +1 :              -0.00111391782583
                   +2 :              -0.00084545596590
                   +3 :               0.00067551369121
             16 vec=   -10.719566      7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :               0.00061606247036
                   +1 :               0.00041918100902
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :               0.00155724003845
                   +0 :               0.00076017000323
                   +1 :               0.00199822969099
                   +2 :              -0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :              -0.00016191293557
                   +0 :              -0.00007475620987
                   +1 :              -0.00015305489981
                   +2 :               0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :               0.00008969314720
                   +1 :               0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :               0.00064463080895
                   -1 :               0.00018920888062
                   +0 :               0.00020318662879
                   +1 :               0.00111391782583
                   +2 :               0.00084545596590
                   +3 :              -0.00067551369121
             17 vec=    10.719566     -7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :              -0.00061606247036
                   +1 :               0.00041918100902
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :               0.00155724003845
                   +0 :              -0.00076017000323
                   +1 :               0.00199822969099
                   +2 :               0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :              -0.00016191293557
                   +0 :               0.00007475620987
                   +1 :              -0.00015305489981
                   +2 :              -0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :              -0.00008969314720
                   +1 :               0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :              -0.00064463080895
                   -1 :               0.00018920888062
                   +0 :              -0.00020318662879
                   +1 :               0.00111391782583
                   +2 :              -0.00084545596590
                   +3 :              -0.00067551369121
             18 vec=    10.719566      7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :               0.00061606247036
                   +1 :              -0.00041918100902
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :               0.00155724003845
                   +0 :               0.00076017000323
                   +1 :              -0.00199822969099
                   +2 :              -0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :              -0.00016191293557
                   +0 :              -0.00007475620987
                   +1 :               0.00015305489981
                   +2 :               0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :               0.00008969314720
                   +1 :              -0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :              -0.00064463080895
                   -1 :               0.00018920888062
                   +0 :               0.00020318662879
                   +1 :              -0.00111391782583
                   +2 :               0.00084545596590
                   +3 :               0.00067551369121
             19 vec=     0.000000    -10.719566      9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00029280485102
                5p
                   -1 :               0.00002981718924
                   +0 :              -0.00002615493671
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00061776943241
                7s
                   +0 :              -0.00012066387972
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00094202349570
                   +0 :               0.00019024016321
                   +1 :              -0.00000000000000
                   +2 :              -0.00029326405122
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00049034551397
                   +0 :               0.00019340161072
                   +1 :               0.00000000000000
                   +2 :               0.00001404610750
                6p
                   -1 :              -0.00011702900638
                   +0 :               0.00022997350150
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005106675608
                   -2 :              -0.00000000000000
                   -1 :              -0.00070387358391
                   +0 :              -0.00077904460353
                   +1 :               0.00000000000000
                   +2 :               0.00007429165213
                   +3 :               0.00000000000000
             20 vec=     0.000000     10.719566      9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00029280485102
                5p
                   -1 :               0.00002981718924
                   +0 :               0.00002615493671
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00061776943241
                7s
                   +0 :               0.00012066387972
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00094202349570
                   +0 :              -0.00019024016321
                   +1 :              -0.00000000000000
                   +2 :               0.00029326405122
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00049034551397
                   +0 :              -0.00019340161072
                   +1 :               0.00000000000000
                   +2 :              -0.00001404610750
                6p
                   -1 :              -0.00011702900638
                   +0 :              -0.00022997350150
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00005106675608
                   -2 :               0.00000000000000
                   -1 :              -0.00070387358391
                   +0 :               0.00077904460353
                   +1 :               0.00000000000000
                   +2 :              -0.00007429165213
                   +3 :              -0.00000000000000
             21 vec=    -3.573189    -14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :               0.00002422127338
                   +1 :              -0.00022723172330
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :               0.00065517676385
                   +0 :               0.00021067715036
                   +1 :              -0.00078921673202
                   +2 :               0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :              -0.00008308779613
                   +0 :              -0.00003445163865
                   +1 :               0.00009160562892
                   +2 :              -0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :               0.00003700529305
                   +1 :              -0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :              -0.00059805198333
                   -1 :               0.00038235744094
                   +0 :              -0.00002675905199
                   +1 :               0.00010838124230
                   +2 :              -0.00030428260452
                   +3 :               0.00095421107667
             22 vec=    -3.573189     14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :              -0.00002422127338
                   +1 :               0.00022723172330
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :               0.00065517676385
                   +0 :              -0.00021067715036
                   +1 :               0.00078921673202
                   +2 :              -0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :              -0.00008308779613
                   +0 :               0.00003445163865
                   +1 :              -0.00009160562892
                   +2 :               0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :              -0.00003700529305
                   +1 :               0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :              -0.00059805198333
                   -1 :               0.00038235744094
                   +0 :               0.00002675905199
                   +1 :              -0.00010838124230
                   +2 :               0.00030428260452
                   +3 :              -0.00095421107667
             23 vec=     3.573189    -14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :               0.00002422127338
                   +1 :               0.00022723172330
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :               0.00065517676385
                   +0 :               0.00021067715036
                   +1 :               0.00078921673202
                   +2 :               0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :              -0.00008308779613
                   +0 :              -0.00003445163865
                   +1 :              -0.00009160562892
                   +2 :              -0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :               0.00003700529305
                   +1 :               0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :               0.00059805198333
                   -1 :               0.00038235744094
                   +0 :              -0.00002675905199
                   +1 :              -0.00010838124230
                   +2 :              -0.00030428260452
                   +3 :              -0.00095421107667
             24 vec=     3.573189     14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :              -0.00002422127338
                   +1 :              -0.00022723172330
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :               0.00065517676385
                   +0 :              -0.00021067715036
                   +1 :              -0.00078921673202
                   +2 :              -0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :              -0.00008308779613
                   +0 :               0.00003445163865
                   +1 :               0.00009160562892
                   +2 :               0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :              -0.00003700529305
                   +1 :              -0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :               0.00059805198333
                   -1 :               0.00038235744094
                   +0 :               0.00002675905199
                   +1 :               0.00010838124230
                   +2 :               0.00030428260452
                   +3 :               0.00095421107667
             25 vec=    -7.146377    -10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :               0.00001468122024
                   +1 :               0.00000905070089
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :              -0.00038654694159
                   +0 :              -0.00000955905133
                   +1 :               0.00027062426908
                   +2 :              -0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :               0.00007141483418
                   +0 :              -0.00005135506831
                   +1 :              -0.00008674691493
                   +2 :               0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :               0.00002946027276
                   +1 :              -0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :              -0.00002047270774
                   -1 :               0.00036112583398
                   +0 :               0.00023377928073
                   +1 :              -0.00006485820026
                   +2 :               0.00001423696152
                   +3 :               0.00001724381074
             26 vec=    -7.146377     10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :              -0.00001468122024
                   +1 :              -0.00000905070089
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :              -0.00038654694159
                   +0 :               0.00000955905133
                   +1 :              -0.00027062426908
                   +2 :               0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :               0.00007141483418
                   +0 :               0.00005135506831
                   +1 :               0.00008674691493
                   +2 :              -0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :              -0.00002946027276
                   +1 :               0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :              -0.00002047270774
                   -1 :               0.00036112583398
                   +0 :              -0.00023377928073
                   +1 :               0.00006485820026
                   +2 :              -0.00001423696152
                   +3 :              -0.00001724381074
             27 vec=     7.146377    -10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :               0.00001468122024
                   +1 :              -0.00000905070089
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :              -0.00038654694159
                   +0 :              -0.00000955905133
                   +1 :              -0.00027062426908
                   +2 :              -0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :               0.00007141483418
                   +0 :              -0.00005135506831
                   +1 :               0.00008674691493
                   +2 :               0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :               0.00002946027276
                   +1 :               0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :               0.00002047270774
                   -1 :               0.00036112583398
                   +0 :               0.00023377928073
                   +1 :               0.00006485820026
                   +2 :               0.00001423696152
                   +3 :              -0.00001724381074
             28 vec=     7.146377     10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :              -0.00001468122024
                   +1 :               0.00000905070089
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :              -0.00038654694159
                   +0 :               0.00000955905133
                   +1 :               0.00027062426908
                   +2 :               0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :               0.00007141483418
                   +0 :               0.00005135506831
                   +1 :              -0.00008674691493
                   +2 :              -0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :              -0.00002946027276
                   +1 :              -0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :               0.00002047270774
                   -1 :               0.00036112583398
                   +0 :              -0.00023377928073
                   +1 :              -0.00006485820026
                   +2 :              -0.00001423696152
                   +3 :               0.00001724381074
             29 vec=     0.000000     -3.573189    -16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00025355336011
                5p
                   -1 :               0.00018559889829
                   +0 :               0.00012239290754
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00031895795039
                7s
                   +0 :              -0.00003645610577
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00020490612010
                   +0 :              -0.00071682189522
                   +1 :               0.00000000000000
                   +2 :              -0.00042702880625
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00012843725610
                   +0 :               0.00025471032628
                   +1 :               0.00000000000000
                   +2 :              -0.00000459591913
                6p
                   -1 :              -0.00006142105585
                   +0 :              -0.00009949594882
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00005752086671
                   -2 :               0.00000000000000
                   -1 :               0.00016621649351
                   +0 :              -0.00035652806543
                   +1 :               0.00000000000000
                   +2 :              -0.00037870669801
                   +3 :              -0.00000000000000
             30 vec=     0.000000      3.573189    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00025355336011
                5p
                   -1 :               0.00018559889829
                   +0 :              -0.00012239290754
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00031895795039
                7s
                   +0 :               0.00003645610577
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00020490612010
                   +0 :               0.00071682189522
                   +1 :              -0.00000000000000
                   +2 :               0.00042702880625
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00012843725610
                   +0 :              -0.00025471032628
                   +1 :              -0.00000000000000
                   +2 :               0.00000459591913
                6p
                   -1 :              -0.00006142105585
                   +0 :               0.00009949594882
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005752086671
                   -2 :              -0.00000000000000
                   -1 :               0.00016621649351
                   +0 :               0.00035652806543
                   +1 :               0.00000000000000
                   +2 :               0.00037870669801
                   +3 :               0.00000000000000
             31 vec=   -14.292755     -3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :              -0.00005438815190
                   +1 :               0.00007455106913
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :              -0.00002326772183
                   +0 :              -0.00014197210610
                   +1 :               0.00032491436900
                   +2 :              -0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :               0.00001788447330
                   +0 :               0.00006603216631
                   +1 :              -0.00011053472557
                   +2 :               0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :               0.00007148253833
                   +1 :              -0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :               0.00000645934008
                   -1 :               0.00000419748708
                   +0 :              -0.00025983030503
                   +1 :              -0.00028858726985
                   +2 :               0.00006318603251
                   +3 :              -0.00009115293853
             32 vec=   -14.292755      3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :               0.00005438815190
                   +1 :              -0.00007455106913
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :              -0.00002326772183
                   +0 :               0.00014197210610
                   +1 :              -0.00032491436900
                   +2 :               0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :               0.00001788447330
                   +0 :              -0.00006603216631
                   +1 :               0.00011053472557
                   +2 :              -0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :              -0.00007148253833
                   +1 :               0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :               0.00000645934008
                   -1 :               0.00000419748708
                   +0 :               0.00025983030503
                   +1 :               0.00028858726985
                   +2 :              -0.00006318603251
                   +3 :               0.00009115293853
             33 vec=    14.292755     -3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :              -0.00005438815190
                   +1 :              -0.00007455106913
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :              -0.00002326772183
                   +0 :              -0.00014197210610
                   +1 :              -0.00032491436900
                   +2 :              -0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :               0.00001788447330
                   +0 :               0.00006603216631
                   +1 :               0.00011053472557
                   +2 :               0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :               0.00007148253833
                   +1 :               0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :              -0.00000645934008
                   -1 :               0.00000419748708
                   +0 :              -0.00025983030503
                   +1 :               0.00028858726985
                   +2 :               0.00006318603251
                   +3 :               0.00009115293853
             34 vec=    14.292755      3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :               0.00005438815190
                   +1 :               0.00007455106913
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :              -0.00002326772183
                   +0 :               0.00014197210610
                   +1 :               0.00032491436900
                   +2 :               0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :               0.00001788447330
                   +0 :              -0.00006603216631
                   +1 :              -0.00011053472557
                   +2 :              -0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :              -0.00007148253833
                   +1 :              -0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :              -0.00000645934008
                   -1 :               0.00000419748708
                   +0 :               0.00025983030503
                   +1 :              -0.00028858726985
                   +2 :              -0.00006318603251
                   +3 :              -0.00009115293853
             35 vec=    -7.146377     -3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :              -0.00023946847189
                   +1 :              -0.00011578732939
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :               0.00013665481896
                   +0 :              -0.00032185221458
                   +1 :              -0.00047730775456
                   +2 :              -0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :              -0.00001850724539
                   +0 :               0.00008484364360
                   +1 :               0.00004347416604
                   +2 :               0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :              -0.00003495230927
                   +1 :              -0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :              -0.00003682076764
                   -1 :               0.00005859668802
                   +0 :              -0.00014548473456
                   +1 :              -0.00016543915821
                   +2 :              -0.00018350785623
                   +3 :              -0.00010941987742
             36 vec=    -7.146377      3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :               0.00023946847189
                   +1 :               0.00011578732939
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :               0.00013665481896
                   +0 :               0.00032185221458
                   +1 :               0.00047730775456
                   +2 :               0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :              -0.00001850724539
                   +0 :              -0.00008484364360
                   +1 :              -0.00004347416604
                   +2 :              -0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :               0.00003495230927
                   +1 :               0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :              -0.00003682076764
                   -1 :               0.00005859668802
                   +0 :               0.00014548473456
                   +1 :               0.00016543915821
                   +2 :               0.00018350785623
                   +3 :               0.00010941987742
             37 vec=     7.146377     -3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :              -0.00023946847189
                   +1 :               0.00011578732939
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :               0.00013665481896
                   +0 :              -0.00032185221458
                   +1 :               0.00047730775456
                   +2 :              -0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :              -0.00001850724539
                   +0 :               0.00008484364360
                   +1 :              -0.00004347416604
                   +2 :               0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :              -0.00003495230927
                   +1 :               0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :               0.00003682076764
                   -1 :               0.00005859668802
                   +0 :              -0.00014548473456
                   +1 :               0.00016543915821
                   +2 :              -0.00018350785623
                   +3 :               0.00010941987742
             38 vec=     7.146377      3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :               0.00023946847189
                   +1 :              -0.00011578732939
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :               0.00013665481896
                   +0 :               0.00032185221458
                   +1 :              -0.00047730775456
                   +2 :               0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :              -0.00001850724539
                   +0 :              -0.00008484364360
                   +1 :               0.00004347416604
                   +2 :              -0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :               0.00003495230927
                   +1 :              -0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :               0.00003682076764
                   -1 :               0.00005859668802
                   +0 :               0.00014548473456
                   +1 :              -0.00016543915821
                   +2 :               0.00018350785623
                   +3 :              -0.00010941987742
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site La(  2)  npairs=  38
              1 vec=    -3.573189      0.000000      3.505098   |vec|=    5.005336
                5p
                   -1 :               0.02910328511418
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.01667693088444
                   -1 :              -0.01535145963283
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00255111465611
                   -1 :              -0.00178926394110
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00163451824683
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.01379200407384
                   -2 :              -0.01468034852992
                   -1 :               0.00386287948103
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              2 vec=     3.573189      0.000000      3.505098   |vec|=    5.005336
                5p
                   -1 :               0.02910328511418
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.01667693088444
                   -1 :              -0.01535145963283
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00255111465611
                   -1 :              -0.00178926394110
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00163451824683
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.01379200407384
                   -2 :               0.01468034852992
                   -1 :               0.00386287948103
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
              3 vec=    -3.573189     -7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :              -0.00153785355987
                   +1 :               0.00171075535704
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :               0.00404933359222
                   +0 :              -0.00255305956999
                   +1 :              -0.00542152990548
                   +2 :              -0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :              -0.00037202348397
                   +0 :               0.00022046193208
                   +1 :               0.00027958929322
                   +2 :               0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :               0.00014382720897
                   +1 :              -0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :              -0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :               0.00167976352224
                   +1 :              -0.00009224455394
                   +2 :              -0.00084119807951
                   +3 :              -0.00476558286030
              4 vec=    -3.573189      7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :               0.00153785355987
                   +1 :              -0.00171075535704
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :               0.00404933359222
                   +0 :               0.00255305956999
                   +1 :               0.00542152990548
                   +2 :               0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :              -0.00037202348397
                   +0 :              -0.00022046193208
                   +1 :              -0.00027958929322
                   +2 :              -0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :              -0.00014382720897
                   +1 :               0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :              -0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :              -0.00167976352224
                   +1 :               0.00009224455394
                   +2 :               0.00084119807951
                   +3 :               0.00476558286030
              5 vec=     3.573189     -7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :              -0.00153785355987
                   +1 :              -0.00171075535704
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :               0.00404933359222
                   +0 :              -0.00255305956999
                   +1 :               0.00542152990548
                   +2 :              -0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :              -0.00037202348397
                   +0 :               0.00022046193208
                   +1 :              -0.00027958929322
                   +2 :               0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :               0.00014382720897
                   +1 :               0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :               0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :               0.00167976352224
                   +1 :               0.00009224455394
                   +2 :              -0.00084119807951
                   +3 :               0.00476558286030
              6 vec=     3.573189      7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :               0.00151537428244
                   +0 :               0.00153785355987
                   +1 :               0.00171075535704
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :               0.00404933359222
                   +0 :               0.00255305956999
                   +1 :              -0.00542152990548
                   +2 :               0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :              -0.00037202348397
                   +0 :              -0.00022046193208
                   +1 :               0.00027958929322
                   +2 :              -0.00046124638643
                6p
                   -1 :              -0.00014832958379
                   +0 :              -0.00014382720897
                   +1 :              -0.00018974134671
                4f
                   -3 :              -0.00230623017230
                   -2 :               0.00265408536333
                   -1 :              -0.00304061647418
                   +0 :              -0.00167976352224
                   +1 :              -0.00009224455394
                   +2 :               0.00084119807951
                   +3 :              -0.00476558286030
              7 vec=     0.000000     -3.573189     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00208865944991
                5p
                   -1 :               0.00094322479096
                   +0 :               0.00033590607366
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00141032654848
                7s
                   +0 :               0.00017069621513
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00406455066887
                   +0 :              -0.00897293907408
                   +1 :              -0.00000000000000
                   +2 :               0.00008528570472
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00075572409552
                   +0 :              -0.00060024157340
                   +1 :               0.00000000000000
                   +2 :              -0.00026880251410
                6p
                   -1 :               0.00025520968585
                   +0 :               0.00003967430564
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00009876638000
                   -2 :               0.00000000000000
                   -1 :               0.00250578971144
                   +0 :              -0.00558693584323
                   +1 :              -0.00000000000000
                   +2 :              -0.00003864114260
                   +3 :              -0.00000000000000
              8 vec=     0.000000      3.573189     -9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00208865944991
                5p
                   -1 :               0.00094322479096
                   +0 :              -0.00033590607366
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00141032654848
                7s
                   +0 :              -0.00017069621513
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00406455066887
                   +0 :               0.00897293907408
                   +1 :               0.00000000000000
                   +2 :              -0.00008528570472
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00075572409552
                   +0 :               0.00060024157340
                   +1 :               0.00000000000000
                   +2 :               0.00026880251410
                6p
                   -1 :               0.00025520968585
                   +0 :              -0.00003967430564
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00009876638000
                   -2 :              -0.00000000000000
                   -1 :               0.00250578971144
                   +0 :               0.00558693584323
                   +1 :              -0.00000000000000
                   +2 :               0.00003864114260
                   +3 :               0.00000000000000
              9 vec=   -10.719566      0.000000      3.505098   |vec|=   11.278067
                5p
                   -1 :               0.00029078070305
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00122700256175
                   -1 :               0.00192705160065
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00020114507128
                   -1 :              -0.00025222863514
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00003614197481
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00195443835939
                   -2 :               0.00143093279932
                   -1 :               0.00021984671405
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             10 vec=    10.719566      0.000000      3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00029078070305
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00122700256175
                   -1 :               0.00192705160065
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00020114507128
                   -1 :              -0.00025222863514
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00003614197481
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00195443835939
                   -2 :              -0.00143093279932
                   -1 :               0.00021984671405
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             11 vec=    -7.146377     -3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :              -0.00085341790387
                   +1 :              -0.00009768541481
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :              -0.00067387197714
                   +0 :              -0.00118935182401
                   +1 :               0.00051877702655
                   +2 :              -0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :               0.00003207569636
                   +0 :              -0.00014273884556
                   +1 :              -0.00019280032792
                   +2 :               0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :               0.00008039909467
                   +1 :               0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :              -0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :              -0.00076885044190
                   +1 :               0.00050828460201
                   +2 :              -0.00020797975866
                   +3 :               0.00027840592503
             12 vec=    -7.146377      3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :               0.00085341790387
                   +1 :               0.00009768541481
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :              -0.00067387197714
                   +0 :               0.00118935182401
                   +1 :              -0.00051877702655
                   +2 :               0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :               0.00003207569636
                   +0 :               0.00014273884556
                   +1 :               0.00019280032792
                   +2 :              -0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :              -0.00008039909467
                   +1 :              -0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :              -0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :               0.00076885044190
                   +1 :              -0.00050828460201
                   +2 :               0.00020797975866
                   +3 :              -0.00027840592503
             13 vec=     7.146377     -3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :              -0.00085341790387
                   +1 :               0.00009768541481
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :              -0.00067387197714
                   +0 :              -0.00118935182401
                   +1 :              -0.00051877702655
                   +2 :              -0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :               0.00003207569636
                   +0 :              -0.00014273884556
                   +1 :               0.00019280032792
                   +2 :               0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :               0.00008039909467
                   +1 :              -0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :               0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :              -0.00076885044190
                   +1 :              -0.00050828460201
                   +2 :              -0.00020797975866
                   +3 :              -0.00027840592503
             14 vec=     7.146377      3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :               0.00006926955196
                   +0 :               0.00085341790387
                   +1 :              -0.00009768541481
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :              -0.00067387197714
                   +0 :               0.00118935182401
                   +1 :               0.00051877702655
                   +2 :               0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :               0.00003207569636
                   +0 :               0.00014273884556
                   +1 :              -0.00019280032792
                   +2 :              -0.00003219396906
                6p
                   -1 :              -0.00001471030425
                   +0 :              -0.00008039909467
                   +1 :               0.00005387386161
                4f
                   -3 :               0.00009308017537
                   -2 :               0.00014055441177
                   -1 :              -0.00039581805164
                   +0 :               0.00076885044190
                   +1 :               0.00050828460201
                   +2 :               0.00020797975866
                   +3 :               0.00027840592503
             15 vec=   -10.719566     -7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :               0.00061606247036
                   +1 :              -0.00041918100902
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :              -0.00155724003845
                   +0 :              -0.00076017000323
                   +1 :               0.00199822969099
                   +2 :               0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :               0.00016191293557
                   +0 :               0.00007475620987
                   +1 :              -0.00015305489981
                   +2 :              -0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :               0.00008969314720
                   +1 :              -0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :              -0.00064463080895
                   -1 :               0.00018920888062
                   +0 :               0.00020318662879
                   +1 :              -0.00111391782583
                   +2 :               0.00084545596590
                   +3 :               0.00067551369121
             16 vec=   -10.719566      7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :              -0.00061606247036
                   +1 :               0.00041918100902
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :              -0.00155724003845
                   +0 :               0.00076017000323
                   +1 :              -0.00199822969099
                   +2 :              -0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :               0.00016191293557
                   +0 :              -0.00007475620987
                   +1 :               0.00015305489981
                   +2 :               0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :              -0.00008969314720
                   +1 :               0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :              -0.00064463080895
                   -1 :               0.00018920888062
                   +0 :              -0.00020318662879
                   +1 :               0.00111391782583
                   +2 :              -0.00084545596590
                   +3 :              -0.00067551369121
             17 vec=    10.719566     -7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :               0.00061606247036
                   +1 :               0.00041918100902
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :              -0.00155724003845
                   +0 :              -0.00076017000323
                   +1 :              -0.00199822969099
                   +2 :               0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :               0.00016191293557
                   +0 :               0.00007475620987
                   +1 :               0.00015305489981
                   +2 :              -0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :               0.00008969314720
                   +1 :               0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :               0.00064463080895
                   -1 :               0.00018920888062
                   +0 :               0.00020318662879
                   +1 :               0.00111391782583
                   +2 :               0.00084545596590
                   +3 :              -0.00067551369121
             18 vec=    10.719566      7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :               0.00001870959947
                   +0 :              -0.00061606247036
                   +1 :              -0.00041918100902
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :              -0.00155724003845
                   +0 :               0.00076017000323
                   +1 :               0.00199822969099
                   +2 :              -0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :               0.00016191293557
                   +0 :              -0.00007475620987
                   +1 :              -0.00015305489981
                   +2 :               0.00013850401706
                6p
                   -1 :               0.00008884498001
                   +0 :              -0.00008969314720
                   +1 :              -0.00002975615153
                4f
                   -3 :               0.00145695696713
                   -2 :               0.00064463080895
                   -1 :               0.00018920888062
                   +0 :              -0.00020318662879
                   +1 :              -0.00111391782583
                   +2 :              -0.00084545596590
                   +3 :               0.00067551369121
             19 vec=     0.000000    -10.719566     -9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00029280485102
                5p
                   -1 :               0.00002981718924
                   +0 :               0.00002615493671
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00061776943241
                7s
                   +0 :              -0.00012066387972
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00094202349570
                   +0 :               0.00019024016321
                   +1 :               0.00000000000000
                   +2 :              -0.00029326405122
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00049034551397
                   +0 :               0.00019340161072
                   +1 :              -0.00000000000000
                   +2 :               0.00001404610750
                6p
                   -1 :              -0.00011702900638
                   +0 :              -0.00022997350150
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00005106675608
                   -2 :               0.00000000000000
                   -1 :              -0.00070387358391
                   +0 :               0.00077904460353
                   +1 :               0.00000000000000
                   +2 :              -0.00007429165213
                   +3 :              -0.00000000000000
             20 vec=     0.000000     10.719566     -9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00029280485102
                5p
                   -1 :               0.00002981718924
                   +0 :              -0.00002615493671
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00061776943241
                7s
                   +0 :               0.00012066387972
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00094202349570
                   +0 :              -0.00019024016321
                   +1 :               0.00000000000000
                   +2 :               0.00029326405122
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00049034551397
                   +0 :              -0.00019340161072
                   +1 :              -0.00000000000000
                   +2 :              -0.00001404610750
                6p
                   -1 :              -0.00011702900638
                   +0 :               0.00022997350150
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005106675608
                   -2 :               0.00000000000000
                   -1 :              -0.00070387358391
                   +0 :              -0.00077904460353
                   +1 :               0.00000000000000
                   +2 :               0.00007429165213
                   +3 :               0.00000000000000
             21 vec=    -3.573189    -14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :              -0.00002422127338
                   +1 :              -0.00022723172330
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :              -0.00065517676385
                   +0 :               0.00021067715036
                   +1 :               0.00078921673202
                   +2 :               0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :               0.00008308779613
                   +0 :              -0.00003445163865
                   +1 :              -0.00009160562892
                   +2 :              -0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :              -0.00003700529305
                   +1 :              -0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :               0.00059805198333
                   -1 :               0.00038235744094
                   +0 :               0.00002675905199
                   +1 :               0.00010838124230
                   +2 :               0.00030428260452
                   +3 :               0.00095421107667
             22 vec=    -3.573189     14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :               0.00002422127338
                   +1 :               0.00022723172330
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :              -0.00065517676385
                   +0 :              -0.00021067715036
                   +1 :              -0.00078921673202
                   +2 :              -0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :               0.00008308779613
                   +0 :               0.00003445163865
                   +1 :               0.00009160562892
                   +2 :               0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :               0.00003700529305
                   +1 :               0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :               0.00059805198333
                   -1 :               0.00038235744094
                   +0 :              -0.00002675905199
                   +1 :              -0.00010838124230
                   +2 :              -0.00030428260452
                   +3 :              -0.00095421107667
             23 vec=     3.573189    -14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :              -0.00002422127338
                   +1 :               0.00022723172330
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :              -0.00065517676385
                   +0 :               0.00021067715036
                   +1 :              -0.00078921673202
                   +2 :               0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :               0.00008308779613
                   +0 :              -0.00003445163865
                   +1 :               0.00009160562892
                   +2 :              -0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :              -0.00003700529305
                   +1 :               0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :              -0.00059805198333
                   -1 :               0.00038235744094
                   +0 :               0.00002675905199
                   +1 :              -0.00010838124230
                   +2 :               0.00030428260452
                   +3 :              -0.00095421107667
             24 vec=     3.573189     14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :              -0.00010097316660
                   +0 :               0.00002422127338
                   +1 :              -0.00022723172330
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :              -0.00065517676385
                   +0 :              -0.00021067715036
                   +1 :               0.00078921673202
                   +2 :              -0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :               0.00008308779613
                   +0 :               0.00003445163865
                   +1 :              -0.00009160562892
                   +2 :               0.00009627836521
                6p
                   -1 :              -0.00001139897465
                   +0 :               0.00003700529305
                   +1 :              -0.00000633798654
                4f
                   -3 :               0.00022371777450
                   -2 :              -0.00059805198333
                   -1 :               0.00038235744094
                   +0 :              -0.00002675905199
                   +1 :               0.00010838124230
                   +2 :              -0.00030428260452
                   +3 :               0.00095421107667
             25 vec=    -7.146377    -10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :              -0.00001468122024
                   +1 :               0.00000905070089
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :               0.00038654694159
                   +0 :              -0.00000955905133
                   +1 :              -0.00027062426908
                   +2 :              -0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :              -0.00007141483418
                   +0 :              -0.00005135506831
                   +1 :               0.00008674691493
                   +2 :               0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :              -0.00002946027276
                   +1 :              -0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :               0.00002047270774
                   -1 :               0.00036112583398
                   +0 :              -0.00023377928073
                   +1 :              -0.00006485820026
                   +2 :              -0.00001423696152
                   +3 :               0.00001724381074
             26 vec=    -7.146377     10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :               0.00001468122024
                   +1 :              -0.00000905070089
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :               0.00038654694159
                   +0 :               0.00000955905133
                   +1 :               0.00027062426908
                   +2 :               0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :              -0.00007141483418
                   +0 :               0.00005135506831
                   +1 :              -0.00008674691493
                   +2 :              -0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :               0.00002946027276
                   +1 :               0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :               0.00002047270774
                   -1 :               0.00036112583398
                   +0 :               0.00023377928073
                   +1 :               0.00006485820026
                   +2 :               0.00001423696152
                   +3 :              -0.00001724381074
             27 vec=     7.146377    -10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :              -0.00001468122024
                   +1 :              -0.00000905070089
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :               0.00038654694159
                   +0 :              -0.00000955905133
                   +1 :               0.00027062426908
                   +2 :              -0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :              -0.00007141483418
                   +0 :              -0.00005135506831
                   +1 :              -0.00008674691493
                   +2 :               0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :              -0.00002946027276
                   +1 :               0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :              -0.00002047270774
                   -1 :               0.00036112583398
                   +0 :              -0.00023377928073
                   +1 :               0.00006485820026
                   +2 :              -0.00001423696152
                   +3 :              -0.00001724381074
             28 vec=     7.146377     10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :              -0.00006193892017
                   +0 :               0.00001468122024
                   +1 :               0.00000905070089
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :               0.00038654694159
                   +0 :               0.00000955905133
                   +1 :              -0.00027062426908
                   +2 :               0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :              -0.00007141483418
                   +0 :               0.00005135506831
                   +1 :               0.00008674691493
                   +2 :              -0.00006208095548
                6p
                   -1 :              -0.00003675035880
                   +0 :               0.00002946027276
                   +1 :              -0.00010063153111
                4f
                   -3 :              -0.00023009602179
                   -2 :              -0.00002047270774
                   -1 :               0.00036112583398
                   +0 :               0.00023377928073
                   +1 :              -0.00006485820026
                   +2 :               0.00001423696152
                   +3 :               0.00001724381074
             29 vec=     0.000000     -3.573189     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00025355336011
                5p
                   -1 :               0.00018559889829
                   +0 :              -0.00012239290754
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00031895795039
                7s
                   +0 :              -0.00003645610577
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00020490612010
                   +0 :              -0.00071682189522
                   +1 :               0.00000000000000
                   +2 :              -0.00042702880625
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012843725610
                   +0 :               0.00025471032628
                   +1 :               0.00000000000000
                   +2 :              -0.00000459591913
                6p
                   -1 :              -0.00006142105585
                   +0 :               0.00009949594882
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005752086671
                   -2 :              -0.00000000000000
                   -1 :               0.00016621649351
                   +0 :               0.00035652806543
                   +1 :               0.00000000000000
                   +2 :               0.00037870669801
                   +3 :               0.00000000000000
             30 vec=     0.000000      3.573189     16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00025355336011
                5p
                   -1 :               0.00018559889829
                   +0 :               0.00012239290754
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00031895795039
                7s
                   +0 :               0.00003645610577
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00020490612010
                   +0 :               0.00071682189522
                   +1 :              -0.00000000000000
                   +2 :               0.00042702880625
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012843725610
                   +0 :              -0.00025471032628
                   +1 :              -0.00000000000000
                   +2 :               0.00000459591913
                6p
                   -1 :              -0.00006142105585
                   +0 :              -0.00009949594882
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00005752086671
                   -2 :               0.00000000000000
                   -1 :               0.00016621649351
                   +0 :              -0.00035652806543
                   +1 :               0.00000000000000
                   +2 :              -0.00037870669801
                   +3 :              -0.00000000000000
             31 vec=   -14.292755     -3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :               0.00005438815190
                   +1 :               0.00007455106913
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :               0.00002326772183
                   +0 :              -0.00014197210610
                   +1 :              -0.00032491436900
                   +2 :              -0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :              -0.00001788447330
                   +0 :               0.00006603216631
                   +1 :               0.00011053472557
                   +2 :               0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :              -0.00007148253833
                   +1 :              -0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :              -0.00000645934008
                   -1 :               0.00000419748708
                   +0 :               0.00025983030503
                   +1 :              -0.00028858726985
                   +2 :              -0.00006318603251
                   +3 :              -0.00009115293853
             32 vec=   -14.292755      3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :              -0.00005438815190
                   +1 :              -0.00007455106913
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :               0.00002326772183
                   +0 :               0.00014197210610
                   +1 :               0.00032491436900
                   +2 :               0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :              -0.00001788447330
                   +0 :              -0.00006603216631
                   +1 :              -0.00011053472557
                   +2 :              -0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :               0.00007148253833
                   +1 :               0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :              -0.00000645934008
                   -1 :               0.00000419748708
                   +0 :              -0.00025983030503
                   +1 :               0.00028858726985
                   +2 :               0.00006318603251
                   +3 :               0.00009115293853
             33 vec=    14.292755     -3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :               0.00005438815190
                   +1 :              -0.00007455106913
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :               0.00002326772183
                   +0 :              -0.00014197210610
                   +1 :               0.00032491436900
                   +2 :              -0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :              -0.00001788447330
                   +0 :               0.00006603216631
                   +1 :              -0.00011053472557
                   +2 :               0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :              -0.00007148253833
                   +1 :               0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :               0.00000645934008
                   -1 :               0.00000419748708
                   +0 :               0.00025983030503
                   +1 :               0.00028858726985
                   +2 :              -0.00006318603251
                   +3 :               0.00009115293853
             34 vec=    14.292755      3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :              -0.00001499778423
                   +0 :              -0.00005438815190
                   +1 :               0.00007455106913
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :               0.00002326772183
                   +0 :               0.00014197210610
                   +1 :              -0.00032491436900
                   +2 :               0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :              -0.00001788447330
                   +0 :              -0.00006603216631
                   +1 :               0.00011053472557
                   +2 :              -0.00002149166634
                6p
                   -1 :               0.00000579368734
                   +0 :               0.00007148253833
                   +1 :              -0.00003003971019
                4f
                   -3 :               0.00002035837116
                   -2 :               0.00000645934008
                   -1 :               0.00000419748708
                   +0 :              -0.00025983030503
                   +1 :              -0.00028858726985
                   +2 :               0.00006318603251
                   +3 :              -0.00009115293853
             35 vec=    -7.146377     -3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :               0.00023946847189
                   +1 :              -0.00011578732939
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :              -0.00013665481896
                   +0 :              -0.00032185221458
                   +1 :               0.00047730775456
                   +2 :              -0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :               0.00001850724539
                   +0 :               0.00008484364360
                   +1 :              -0.00004347416604
                   +2 :               0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :               0.00003495230927
                   +1 :              -0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :               0.00003682076764
                   -1 :               0.00005859668802
                   +0 :               0.00014548473456
                   +1 :              -0.00016543915821
                   +2 :               0.00018350785623
                   +3 :              -0.00010941987742
             36 vec=    -7.146377      3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :              -0.00023946847189
                   +1 :               0.00011578732939
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :              -0.00013665481896
                   +0 :               0.00032185221458
                   +1 :              -0.00047730775456
                   +2 :               0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :               0.00001850724539
                   +0 :              -0.00008484364360
                   +1 :               0.00004347416604
                   +2 :              -0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :              -0.00003495230927
                   +1 :               0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :               0.00003682076764
                   -1 :               0.00005859668802
                   +0 :              -0.00014548473456
                   +1 :               0.00016543915821
                   +2 :              -0.00018350785623
                   +3 :               0.00010941987742
             37 vec=     7.146377     -3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :               0.00023946847189
                   +1 :               0.00011578732939
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :              -0.00013665481896
                   +0 :              -0.00032185221458
                   +1 :              -0.00047730775456
                   +2 :              -0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :               0.00001850724539
                   +0 :               0.00008484364360
                   +1 :               0.00004347416604
                   +2 :               0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :               0.00003495230927
                   +1 :               0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :              -0.00003682076764
                   -1 :               0.00005859668802
                   +0 :               0.00014548473456
                   +1 :               0.00016543915821
                   +2 :               0.00018350785623
                   +3 :               0.00010941987742
             38 vec=     7.146377      3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :              -0.00000241532557
                   +0 :              -0.00023946847189
                   +1 :              -0.00011578732939
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :              -0.00013665481896
                   +0 :               0.00032185221458
                   +1 :               0.00047730775456
                   +2 :               0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :               0.00001850724539
                   +0 :              -0.00008484364360
                   +1 :              -0.00004347416604
                   +2 :              -0.00002874584305
                6p
                   -1 :               0.00000710982113
                   +0 :              -0.00003495230927
                   +1 :              -0.00003287012251
                4f
                   -3 :              -0.00003856041469
                   -2 :              -0.00003682076764
                   -1 :               0.00005859668802
                   +0 :              -0.00014548473456
                   +1 :              -0.00016543915821
                   +2 :              -0.00018350785623
                   +3 :              -0.00010941987742
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site Cu(  3)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                3s
                   +0 :               0.04222595492986
                3p
                   -1 :              -0.05594623790358
                   +1 :               0.00000000000000
                4s
                   +0 :               0.15295291302639
                5s
                   +0 :               0.00859777326771
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00471317619795
                   +1 :               0.00000000000000
                   +2 :              -0.04486922696171
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00665495594253
                   +1 :               0.00000000000000
                   +2 :              -0.01444828986242
                4p
                   -1 :              -0.09864477751860
                   +1 :               0.00000000000000
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                3s
                   +0 :              -0.04222595492986
                3p
                   -1 :              -0.05594623790358
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.15295291302639
                5s
                   +0 :              -0.00859777326771
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00471317619795
                   +1 :              -0.00000000000000
                   +2 :               0.04486922696171
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00665495594253
                   +1 :               0.00000000000000
                   +2 :               0.01444828986242
                4p
                   -1 :              -0.09864477751860
                   +1 :               0.00000000000000
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00063877915327
                3p
                   -1 :               0.00034428680575
                   +0 :               0.00000000000000
                   +1 :              -0.00132023942543
                4s
                   +0 :               0.01590168238684
                5s
                   +0 :               0.00054136806860
                3d
                   -2 :              -0.00284309530085
                   -1 :               0.00000000000000
                   +0 :               0.00109081770243
                   +1 :               0.00000000000000
                   +2 :               0.00437245428784
                4d
                   -2 :              -0.00057675243296
                   -1 :               0.00000000000000
                   +0 :              -0.00010845035285
                   +1 :              -0.00000000000000
                   +2 :               0.00076245174195
                4p
                   -1 :               0.00366462303835
                   +1 :              -0.00727225353808
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00063877915327
                3p
                   -1 :               0.00034428680575
                   +1 :               0.00132023942543
                4s
                   +0 :              -0.01590168238684
                5s
                   +0 :              -0.00054136806860
                3d
                   -2 :              -0.00284309530085
                   -1 :               0.00000000000000
                   +0 :              -0.00109081770243
                   +1 :              -0.00000000000000
                   +2 :              -0.00437245428784
                4d
                   -2 :              -0.00057675243296
                   -1 :               0.00000000000000
                   +0 :               0.00010845035285
                   +2 :              -0.00076245174195
                4p
                   -1 :               0.00366462303835
                   +1 :               0.00727225353808
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00063877915327
                3p
                   -1 :               0.00034428680575
                   +1 :               0.00132023942543
                4s
                   +0 :               0.01590168238684
                5s
                   +0 :               0.00054136806860
                3d
                   -2 :               0.00284309530085
                   -1 :              -0.00000000000000
                   +0 :               0.00109081770243
                   +1 :               0.00000000000000
                   +2 :               0.00437245428784
                4d
                   -2 :               0.00057675243296
                   -1 :              -0.00000000000000
                   +0 :              -0.00010845035285
                   +1 :               0.00000000000000
                   +2 :               0.00076245174195
                4p
                   -1 :               0.00366462303835
                   +1 :               0.00727225353808
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00063877915327
                3p
                   -1 :               0.00034428680575
                   +0 :              -0.00000000000000
                   +1 :              -0.00132023942543
                4s
                   +0 :              -0.01590168238684
                5s
                   +0 :              -0.00054136806860
                3d
                   -2 :               0.00284309530085
                   -1 :              -0.00000000000000
                   +0 :              -0.00109081770243
                   +1 :              -0.00000000000000
                   +2 :              -0.00437245428784
                4d
                   -2 :               0.00057675243296
                   -1 :              -0.00000000000000
                   +0 :               0.00010845035285
                   +1 :               0.00000000000000
                   +2 :              -0.00076245174195
                4p
                   -1 :               0.00366462303835
                   +0 :              -0.00000000000000
                   +1 :              -0.00727225353808
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                3s
                   +0 :               0.00147154836376
                3p
                   -1 :              -0.00060947855849
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00754465523649
                5s
                   +0 :              -0.00048859360181
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00129919108377
                   +1 :               0.00000000000000
                   +2 :              -0.00089295718194
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00005868317874
                   +1 :               0.00000000000000
                   +2 :               0.00013186216286
                4p
                   -1 :               0.00337890860754
                   +1 :              -0.00000000000000
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                3s
                   +0 :              -0.00147154836376
                3p
                   -1 :              -0.00060947855849
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00754465523649
                5s
                   +0 :               0.00048859360181
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00129919108377
                   +1 :              -0.00000000000000
                   +2 :               0.00089295718194
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005868317874
                   +1 :              -0.00000000000000
                   +2 :              -0.00013186216286
                4p
                   -1 :               0.00337890860754
                   +1 :              -0.00000000000000
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00018310311833
                3p
                   -1 :              -0.00018576036057
                   +1 :              -0.00003628926909
                4s
                   +0 :               0.00204093111150
                5s
                   +0 :               0.00044000204025
                3d
                   -2 :              -0.00058957879327
                   -1 :              -0.00000000000000
                   +0 :               0.00002952265804
                   +1 :               0.00000000000000
                   +2 :              -0.00123676424532
                4d
                   -2 :              -0.00013247301019
                   -1 :              -0.00000000000000
                   +0 :              -0.00003780488744
                   +1 :               0.00000000000000
                   +2 :              -0.00024464420582
                4p
                   -1 :              -0.00199746228840
                   +1 :               0.00124833128932
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00018310311833
                3p
                   -1 :              -0.00018576036057
                   +0 :              -0.00000000000000
                   +1 :               0.00003628926909
                4s
                   +0 :              -0.00204093111150
                5s
                   +0 :              -0.00044000204025
                3d
                   -2 :              -0.00058957879327
                   -1 :              -0.00000000000000
                   +0 :              -0.00002952265804
                   +1 :              -0.00000000000000
                   +2 :               0.00123676424532
                4d
                   -2 :              -0.00013247301019
                   -1 :              -0.00000000000000
                   +0 :               0.00003780488744
                   +1 :              -0.00000000000000
                   +2 :               0.00024464420582
                4p
                   -1 :              -0.00199746228840
                   +0 :               0.00000000000000
                   +1 :              -0.00124833128932
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00018310311833
                3p
                   -1 :              -0.00018576036057
                   +0 :              -0.00000000000000
                   +1 :               0.00003628926909
                4s
                   +0 :               0.00204093111150
                5s
                   +0 :               0.00044000204025
                3d
                   -2 :               0.00058957879327
                   -1 :               0.00000000000000
                   +0 :               0.00002952265804
                   +1 :               0.00000000000000
                   +2 :              -0.00123676424532
                4d
                   -2 :               0.00013247301019
                   -1 :               0.00000000000000
                   +0 :              -0.00003780488744
                   +1 :               0.00000000000000
                   +2 :              -0.00024464420582
                4p
                   -1 :              -0.00199746228840
                   +0 :               0.00000000000000
                   +1 :              -0.00124833128932
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00018310311833
                3p
                   -1 :              -0.00018576036057
                   +1 :              -0.00003628926909
                4s
                   +0 :              -0.00204093111150
                5s
                   +0 :              -0.00044000204025
                3d
                   -2 :               0.00058957879327
                   -1 :               0.00000000000000
                   +0 :              -0.00002952265804
                   +1 :              -0.00000000000000
                   +2 :               0.00123676424532
                4d
                   -2 :               0.00013247301019
                   -1 :               0.00000000000000
                   +0 :               0.00003780488744
                   +1 :              -0.00000000000000
                   +2 :               0.00024464420582
                4p
                   -1 :              -0.00199746228840
                   +1 :               0.00124833128932
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00009024789339
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00015822715128
                   -1 :              -0.00034273665860
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000102550635
                   -1 :              -0.00001394070671
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00022584421106
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                3p
                   -1 :              -0.00009024789339
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00015822715128
                   -1 :               0.00034273665860
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000102550635
                   -1 :               0.00001394070671
                   +1 :              -0.00000000000000
                4p
                   -1 :               0.00022584421106
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                3p
                   -1 :              -0.00009024789339
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00015822715128
                   -1 :              -0.00034273665860
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000102550635
                   -1 :              -0.00001394070671
                   +1 :               0.00000000000000
                4p
                   -1 :               0.00022584421106
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00009024789339
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00015822715128
                   -1 :               0.00034273665860
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000102550635
                   -1 :               0.00001394070671
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00022584421106
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00023260727276
                3p
                   -1 :               0.00002785843635
                   +0 :              -0.00000000000000
                   +1 :              -0.00014911515141
                4s
                   +0 :              -0.00072821544637
                5s
                   +0 :              -0.00006697990037
                3d
                   -2 :               0.00018086466616
                   -1 :              -0.00000000000000
                   +0 :              -0.00012607774390
                   +1 :              -0.00000000000000
                   +2 :               0.00009411121426
                4d
                   -2 :               0.00003198771537
                   -1 :              -0.00000000000000
                   +0 :               0.00000689585824
                   +2 :              -0.00000856855441
                4p
                   -1 :              -0.00020354730458
                   +1 :               0.00047107830402
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00023260727276
                3p
                   -1 :               0.00002785843635
                   +1 :               0.00014911515141
                4s
                   +0 :               0.00072821544637
                5s
                   +0 :               0.00006697990037
                3d
                   -2 :               0.00018086466616
                   -1 :               0.00000000000000
                   +0 :               0.00012607774390
                   +1 :               0.00000000000000
                   +2 :              -0.00009411121426
                4d
                   -2 :               0.00003198771537
                   -1 :               0.00000000000000
                   +0 :              -0.00000689585824
                   +1 :               0.00000000000000
                   +2 :               0.00000856855441
                4p
                   -1 :              -0.00020354730458
                   +1 :              -0.00047107830402
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00023260727276
                3p
                   -1 :               0.00002785843635
                   +0 :              -0.00000000000000
                   +1 :               0.00014911515141
                4s
                   +0 :              -0.00072821544637
                5s
                   +0 :              -0.00006697990037
                3d
                   -2 :              -0.00018086466616
                   -1 :              -0.00000000000000
                   +0 :              -0.00012607774390
                   +1 :              -0.00000000000000
                   +2 :               0.00009411121426
                4d
                   -2 :              -0.00003198771537
                   -1 :              -0.00000000000000
                   +0 :               0.00000689585824
                   +1 :              -0.00000000000000
                   +2 :              -0.00000856855441
                4p
                   -1 :              -0.00020354730458
                   +0 :              -0.00000000000000
                   +1 :              -0.00047107830402
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00023260727276
                3p
                   -1 :               0.00002785843635
                   +0 :              -0.00000000000000
                   +1 :              -0.00014911515141
                4s
                   +0 :               0.00072821544637
                5s
                   +0 :               0.00006697990037
                3d
                   -2 :              -0.00018086466616
                   -1 :               0.00000000000000
                   +0 :               0.00012607774390
                   +1 :               0.00000000000000
                   +2 :              -0.00009411121426
                4d
                   -2 :              -0.00003198771537
                   -1 :               0.00000000000000
                   +0 :              -0.00000689585824
                   +1 :               0.00000000000000
                   +2 :               0.00000856855441
                4p
                   -1 :              -0.00020354730458
                   +0 :              -0.00000000000000
                   +1 :               0.00047107830402
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :              -0.00005308519118
                   +1 :              -0.00003505564024
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :              -0.00002898232969
                   +0 :               0.00018108700429
                   +1 :              -0.00011512848593
                   +2 :              -0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :              -0.00001274065659
                   +0 :               0.00001628631537
                   +1 :              -0.00003204628223
                   +2 :              -0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :              -0.00014544704218
                   +1 :               0.00019345023500
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :               0.00005308519118
                   +1 :              -0.00003505564024
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :               0.00002898232969
                   +0 :               0.00018108700429
                   +1 :               0.00011512848593
                   +2 :              -0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :               0.00001274065659
                   +0 :               0.00001628631537
                   +1 :               0.00003204628223
                   +2 :              -0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :               0.00014544704218
                   +1 :               0.00019345023500
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :               0.00005308519118
                   +1 :               0.00003505564024
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :              -0.00002898232969
                   +0 :              -0.00018108700429
                   +1 :               0.00011512848593
                   +2 :               0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :              -0.00001274065659
                   +0 :              -0.00001628631537
                   +1 :               0.00003204628223
                   +2 :               0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :               0.00014544704218
                   +1 :              -0.00019345023500
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :              -0.00005308519118
                   +1 :               0.00003505564024
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :               0.00002898232969
                   +0 :              -0.00018108700429
                   +1 :              -0.00011512848593
                   +2 :               0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :               0.00001274065659
                   +0 :              -0.00001628631537
                   +1 :              -0.00003204628223
                   +2 :               0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :              -0.00014544704218
                   +1 :              -0.00019345023500
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :              -0.00005308519118
                   +1 :               0.00003505564024
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :              -0.00002898232969
                   +0 :               0.00018108700429
                   +1 :               0.00011512848593
                   +2 :              -0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :              -0.00001274065659
                   +0 :               0.00001628631537
                   +1 :               0.00003204628223
                   +2 :              -0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :              -0.00014544704218
                   +1 :              -0.00019345023500
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :               0.00005308519118
                   +1 :               0.00003505564024
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :               0.00002898232969
                   +0 :               0.00018108700429
                   +1 :              -0.00011512848593
                   +2 :              -0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :               0.00001274065659
                   +0 :               0.00001628631537
                   +1 :              -0.00003204628223
                   +2 :              -0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :               0.00014544704218
                   +1 :              -0.00019345023500
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :               0.00005308519118
                   +1 :              -0.00003505564024
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :              -0.00002898232969
                   +0 :              -0.00018108700429
                   +1 :              -0.00011512848593
                   +2 :               0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :              -0.00001274065659
                   +0 :              -0.00001628631537
                   +1 :              -0.00003204628223
                   +2 :               0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :               0.00014544704218
                   +1 :               0.00019345023500
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :              -0.00001519794967
                   +0 :              -0.00005308519118
                   +1 :              -0.00003505564024
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :               0.00002898232969
                   +0 :              -0.00018108700429
                   +1 :               0.00011512848593
                   +2 :               0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :               0.00001274065659
                   +0 :              -0.00001628631537
                   +1 :               0.00003204628223
                   +2 :               0.00000797384935
                4p
                   -1 :               0.00008410499545
                   +0 :              -0.00014544704218
                   +1 :               0.00019345023500
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                3p
                   -1 :               0.00002018281902
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00005647550126
                   -1 :               0.00005824725995
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4d
                   -2 :               0.00001942291218
                   -1 :               0.00001007769887
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00008747765595
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                3p
                   -1 :               0.00002018281902
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00005647550126
                   -1 :              -0.00005824725995
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001942291218
                   -1 :              -0.00001007769887
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00008747765595
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                3p
                   -1 :               0.00002018281902
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00005647550126
                   -1 :               0.00005824725995
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00001942291218
                   -1 :               0.00001007769887
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00008747765595
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                3p
                   -1 :               0.00002018281902
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00005647550126
                   -1 :              -0.00005824725995
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00001942291218
                   -1 :              -0.00001007769887
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00008747765595
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00001493253046
                3p
                   -1 :              -0.00002721137705
                   +0 :               0.00000000000000
                   +1 :              -0.00003159077569
                4s
                   +0 :               0.00076851986831
                5s
                   +0 :               0.00000498288686
                3d
                   -2 :              -0.00017111796744
                   -1 :               0.00000000000000
                   +0 :              -0.00002781386360
                   +1 :               0.00000000000000
                   +2 :               0.00035228642641
                4d
                   -2 :              -0.00003057930768
                   -1 :               0.00000000000000
                   +0 :              -0.00002412382686
                   +1 :              -0.00000000000000
                   +2 :               0.00007278523367
                4p
                   -1 :               0.00033670460394
                   +1 :              -0.00055150960497
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00001493253046
                3p
                   -1 :              -0.00002721137705
                   +0 :              -0.00000000000000
                   +1 :               0.00003159077569
                4s
                   +0 :              -0.00076851986831
                5s
                   +0 :              -0.00000498288686
                3d
                   -2 :              -0.00017111796744
                   -1 :               0.00000000000000
                   +0 :               0.00002781386360
                   +1 :               0.00000000000000
                   +2 :              -0.00035228642641
                4d
                   -2 :              -0.00003057930768
                   -1 :               0.00000000000000
                   +0 :               0.00002412382686
                   +1 :              -0.00000000000000
                   +2 :              -0.00007278523367
                4p
                   -1 :               0.00033670460394
                   +0 :              -0.00000000000000
                   +1 :               0.00055150960497
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00006232216854
                3p
                   -1 :               0.00005355979806
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00017945724707
                5s
                   +0 :               0.00003108543108
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001659073252
                   +1 :               0.00000000000000
                   +2 :              -0.00020591526272
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000893857368
                   +1 :               0.00000000000000
                   +2 :               0.00000220678226
                4p
                   -1 :              -0.00002081293281
                   +1 :              -0.00000000000000
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00006232216854
                3p
                   -1 :               0.00005355979806
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00017945724707
                5s
                   +0 :              -0.00003108543108
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001659073252
                   +1 :              -0.00000000000000
                   +2 :               0.00020591526272
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000893857368
                   +1 :              -0.00000000000000
                   +2 :              -0.00000220678226
                4p
                   -1 :              -0.00002081293281
                   +1 :              -0.00000000000000
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00001493253046
                3p
                   -1 :              -0.00002721137705
                   +0 :               0.00000000000000
                   +1 :               0.00003159077569
                4s
                   +0 :               0.00076851986831
                5s
                   +0 :               0.00000498288686
                3d
                   -2 :               0.00017111796744
                   -1 :              -0.00000000000000
                   +0 :              -0.00002781386360
                   +1 :              -0.00000000000000
                   +2 :               0.00035228642641
                4d
                   -2 :               0.00003057930768
                   -1 :              -0.00000000000000
                   +0 :              -0.00002412382686
                   +1 :               0.00000000000000
                   +2 :               0.00007278523367
                4p
                   -1 :               0.00033670460394
                   +0 :               0.00000000000000
                   +1 :               0.00055150960497
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00001493253046
                3p
                   -1 :              -0.00002721137705
                   +0 :               0.00000000000000
                   +1 :              -0.00003159077569
                4s
                   +0 :              -0.00076851986831
                5s
                   +0 :              -0.00000498288686
                3d
                   -2 :               0.00017111796744
                   -1 :              -0.00000000000000
                   +0 :               0.00002781386360
                   +1 :              -0.00000000000000
                   +2 :              -0.00035228642641
                4d
                   -2 :               0.00003057930768
                   -1 :              -0.00000000000000
                   +0 :               0.00002412382686
                   +1 :               0.00000000000000
                   +2 :              -0.00007278523367
                4p
                   -1 :               0.00033670460394
                   +0 :              -0.00000000000000
                   +1 :              -0.00055150960497
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :              -0.00000542713709
                   +1 :               0.00000099863663
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :               0.00000493552720
                   +0 :               0.00006470106804
                   +1 :               0.00000612456442
                   +2 :               0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :              -0.00000326439272
                   +0 :               0.00000328349228
                   +1 :               0.00000337569624
                   +2 :               0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :              -0.00000838475304
                   +1 :              -0.00007895920078
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :               0.00000542713709
                   +1 :               0.00000099863663
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :              -0.00000493552720
                   +0 :               0.00006470106804
                   +1 :              -0.00000612456442
                   +2 :               0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :               0.00000326439272
                   +0 :               0.00000328349228
                   +1 :              -0.00000337569624
                   +2 :               0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :               0.00000838475304
                   +1 :              -0.00007895920078
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :               0.00000542713709
                   +1 :              -0.00000099863663
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :               0.00000493552720
                   +0 :              -0.00006470106804
                   +1 :              -0.00000612456442
                   +2 :              -0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :              -0.00000326439272
                   +0 :              -0.00000328349228
                   +1 :              -0.00000337569624
                   +2 :              -0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :               0.00000838475304
                   +1 :               0.00007895920078
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :              -0.00000542713709
                   +1 :              -0.00000099863663
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :              -0.00000493552720
                   +0 :              -0.00006470106804
                   +1 :               0.00000612456442
                   +2 :              -0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :               0.00000326439272
                   +0 :              -0.00000328349228
                   +1 :               0.00000337569624
                   +2 :              -0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :              -0.00000838475304
                   +1 :               0.00007895920078
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :              -0.00000542713709
                   +1 :              -0.00000099863663
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :               0.00000493552720
                   +0 :               0.00006470106804
                   +1 :              -0.00000612456442
                   +2 :               0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :              -0.00000326439272
                   +0 :               0.00000328349228
                   +1 :              -0.00000337569624
                   +2 :               0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :              -0.00000838475304
                   +1 :               0.00007895920078
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :               0.00000542713709
                   +1 :              -0.00000099863663
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :              -0.00000493552720
                   +0 :               0.00006470106804
                   +1 :               0.00000612456442
                   +2 :               0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :               0.00000326439272
                   +0 :               0.00000328349228
                   +1 :               0.00000337569624
                   +2 :               0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :               0.00000838475304
                   +1 :               0.00007895920078
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :               0.00000542713709
                   +1 :               0.00000099863663
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :               0.00000493552720
                   +0 :              -0.00006470106804
                   +1 :               0.00000612456442
                   +2 :              -0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :              -0.00000326439272
                   +0 :              -0.00000328349228
                   +1 :               0.00000337569624
                   +2 :              -0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :               0.00000838475304
                   +1 :              -0.00007895920078
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :              -0.00000614373638
                   +0 :              -0.00000542713709
                   +1 :               0.00000099863663
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :              -0.00000493552720
                   +0 :              -0.00006470106804
                   +1 :              -0.00000612456442
                   +2 :              -0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :               0.00000326439272
                   +0 :              -0.00000328349228
                   +1 :              -0.00000337569624
                   +2 :              -0.00001062222324
                4p
                   -1 :               0.00008120734321
                   +0 :              -0.00000838475304
                   +1 :              -0.00007895920078
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site O (  4)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.87314069092581
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.02607683737779
                   +1 :               0.00000000000000
                3d
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00747405483442
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00139937505644
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00017300106628
                   -1 :               0.00000000000000
                   +2 :              -0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00124704051328
                2s
                   +0 :              -0.00215169410809
                3s
                   +0 :              -0.00198116086703
                2p
                   -1 :               0.01203351912424
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00123600677669
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00070560239640
                   +1 :              -0.00000000000000
                   +2 :              -0.00120091219439
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00124704051328
                2s
                   +0 :               0.00215169410809
                3s
                   +0 :               0.00198116086703
                2p
                   -1 :               0.01203351912424
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00123600677669
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00070560239640
                   +1 :               0.00000000000000
                   +2 :               0.00120091219439
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00747405483442
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00139937505644
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00017300106628
                   -1 :              -0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00089596049793
                2s
                   +0 :              -0.01089663325981
                3s
                   +0 :               0.00199874612942
                2p
                   -1 :               0.00837027975003
                   +0 :              -0.00000000000000
                   +1 :               0.00541518221637
                3p
                   -1 :              -0.00133635716413
                   +1 :              -0.00109561310882
                3d
                   -2 :              -0.00037065544746
                   -1 :              -0.00000000000000
                   +0 :               0.00025566038213
                   +1 :              -0.00000000000000
                   +2 :               0.00015760493822
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00089596049793
                2s
                   +0 :               0.01089663325981
                3s
                   +0 :              -0.00199874612942
                2p
                   -1 :               0.00837027975003
                   +0 :              -0.00000000000000
                   +1 :              -0.00541518221637
                3p
                   -1 :              -0.00133635716413
                   +1 :               0.00109561310882
                3d
                   -2 :              -0.00037065544746
                   -1 :              -0.00000000000000
                   +0 :              -0.00025566038213
                   +1 :               0.00000000000000
                   +2 :              -0.00015760493822
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00089596049793
                2s
                   +0 :              -0.01089663325981
                3s
                   +0 :               0.00199874612942
                2p
                   -1 :               0.00837027975003
                   +0 :               0.00000000000000
                   +1 :              -0.00541518221637
                3p
                   -1 :              -0.00133635716413
                   +1 :               0.00109561310882
                3d
                   -2 :               0.00037065544746
                   -1 :               0.00000000000000
                   +0 :               0.00025566038213
                   +1 :               0.00000000000000
                   +2 :               0.00015760493822
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00089596049793
                2s
                   +0 :               0.01089663325981
                3s
                   +0 :              -0.00199874612942
                2p
                   -1 :               0.00837027975003
                   +0 :               0.00000000000000
                   +1 :               0.00541518221637
                3p
                   -1 :              -0.00133635716413
                   +0 :               0.00000000000000
                   +1 :              -0.00109561310882
                3d
                   -2 :               0.00037065544746
                   -1 :               0.00000000000000
                   +0 :              -0.00025566038213
                   +1 :               0.00000000000000
                   +2 :              -0.00015760493822
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :               0.00045700622715
                   +1 :               0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :              -0.00000977838762
                   +1 :               0.00007899405586
                3d
                   -2 :               0.00000641932560
                   -1 :               0.00000462399318
                   +0 :               0.00003938133160
                   +1 :              -0.00004807773023
                   +2 :              -0.00005200247543
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :              -0.00045700622715
                   +1 :               0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :               0.00000977838762
                   +1 :               0.00007899405586
                3d
                   -2 :               0.00000641932560
                   -1 :              -0.00000462399318
                   +0 :               0.00003938133160
                   +1 :               0.00004807773023
                   +2 :              -0.00005200247543
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :              -0.00045700622715
                   +1 :              -0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :               0.00000977838762
                   +1 :              -0.00007899405586
                3d
                   -2 :               0.00000641932560
                   -1 :               0.00000462399318
                   +0 :              -0.00003938133160
                   +1 :               0.00004807773023
                   +2 :               0.00005200247543
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :               0.00045700622715
                   +1 :              -0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :              -0.00000977838762
                   +1 :              -0.00007899405586
                3d
                   -2 :               0.00000641932560
                   -1 :              -0.00000462399318
                   +0 :              -0.00003938133160
                   +1 :              -0.00004807773023
                   +2 :               0.00005200247543
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :               0.00045700622715
                   +1 :              -0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :              -0.00000977838762
                   +1 :              -0.00007899405586
                3d
                   -2 :              -0.00000641932560
                   -1 :               0.00000462399318
                   +0 :               0.00003938133160
                   +1 :               0.00004807773023
                   +2 :              -0.00005200247543
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :              -0.00045700622715
                   +1 :              -0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :               0.00000977838762
                   +1 :              -0.00007899405586
                3d
                   -2 :              -0.00000641932560
                   -1 :              -0.00000462399318
                   +0 :               0.00003938133160
                   +1 :              -0.00004807773023
                   +2 :              -0.00005200247543
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :              -0.00045700622715
                   +1 :               0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :               0.00000977838762
                   +1 :               0.00007899405586
                3d
                   -2 :              -0.00000641932560
                   -1 :               0.00000462399318
                   +0 :              -0.00003938133160
                   +1 :              -0.00004807773023
                   +2 :               0.00005200247543
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :               0.00008016999168
                   +0 :               0.00045700622715
                   +1 :               0.00073345701749
                3p
                   -1 :              -0.00011241169107
                   +0 :              -0.00000977838762
                   +1 :               0.00007899405586
                3d
                   -2 :              -0.00000641932560
                   -1 :              -0.00000462399318
                   +0 :              -0.00003938133160
                   +1 :               0.00004807773023
                   +2 :               0.00005200247543
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00019145400595
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00002474503245
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00001813206498
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00002171681518
                2s
                   +0 :               0.00043447170948
                3s
                   +0 :               0.00002382574275
                2p
                   -1 :              -0.00060469214182
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011762067681
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003261725949
                   +1 :               0.00000000000000
                   +2 :              -0.00005689109668
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00002171681518
                2s
                   +0 :              -0.00043447170948
                3s
                   +0 :              -0.00002382574275
                2p
                   -1 :              -0.00060469214182
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011762067681
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00003261725949
                   +1 :              -0.00000000000000
                   +2 :               0.00005689109668
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00019145400595
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00002474503245
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00001813206498
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00004581671298
                2s
                   +0 :               0.00061521783356
                3s
                   +0 :              -0.00015889244649
                2p
                   -1 :              -0.00038673164507
                   +1 :              -0.00050688447910
                3p
                   -1 :               0.00005164995301
                   +0 :              -0.00000000000000
                   +1 :               0.00014127436871
                3d
                   -2 :               0.00003092568598
                   -1 :               0.00000000000000
                   +0 :              -0.00000608715687
                   +1 :              -0.00000000000000
                   +2 :               0.00001175409923
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00004581671298
                2s
                   +0 :              -0.00061521783356
                3s
                   +0 :               0.00015889244649
                2p
                   -1 :              -0.00038673164507
                   +1 :               0.00050688447910
                3p
                   -1 :               0.00005164995301
                   +1 :              -0.00014127436871
                3d
                   -2 :               0.00003092568598
                   +0 :               0.00000608715687
                   +1 :               0.00000000000000
                   +2 :              -0.00001175409923
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00009273711397
                2s
                   +0 :               0.00087361850051
                3s
                   +0 :              -0.00025018737019
                2p
                   -1 :              -0.00027322126532
                   +1 :              -0.00034703152763
                3p
                   -1 :               0.00010429805243
                   +1 :               0.00009146536938
                3d
                   -2 :               0.00004429408861
                   -1 :               0.00000000000000
                   +0 :              -0.00001219214170
                   +1 :               0.00000000000000
                   +2 :              -0.00000774087990
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00009273711397
                2s
                   +0 :              -0.00087361850051
                3s
                   +0 :               0.00025018737019
                2p
                   -1 :              -0.00027322126532
                   +0 :               0.00000000000000
                   +1 :               0.00034703152763
                3p
                   -1 :               0.00010429805243
                   +1 :              -0.00009146536938
                3d
                   -2 :               0.00004429408861
                   -1 :               0.00000000000000
                   +0 :               0.00001219214170
                   +1 :              -0.00000000000000
                   +2 :               0.00000774087990
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00009273711397
                2s
                   +0 :               0.00087361850051
                3s
                   +0 :              -0.00025018737019
                2p
                   -1 :              -0.00027322126532
                   +0 :              -0.00000000000000
                   +1 :               0.00034703152763
                3p
                   -1 :               0.00010429805243
                   +1 :              -0.00009146536938
                3d
                   -2 :              -0.00004429408861
                   -1 :              -0.00000000000000
                   +0 :              -0.00001219214170
                   +1 :               0.00000000000000
                   +2 :              -0.00000774087990
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00009273711397
                2s
                   +0 :              -0.00087361850051
                3s
                   +0 :               0.00025018737019
                2p
                   -1 :              -0.00027322126532
                   +1 :              -0.00034703152763
                3p
                   -1 :               0.00010429805243
                   +1 :               0.00009146536938
                3d
                   -2 :              -0.00004429408861
                   -1 :              -0.00000000000000
                   +0 :               0.00001219214170
                   +1 :              -0.00000000000000
                   +2 :               0.00000774087990
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00004581671298
                2s
                   +0 :               0.00061521783356
                3s
                   +0 :              -0.00015889244649
                2p
                   -1 :              -0.00038673164507
                   +1 :               0.00050688447910
                3p
                   -1 :               0.00005164995301
                   +0 :               0.00000000000000
                   +1 :              -0.00014127436871
                3d
                   -2 :              -0.00003092568598
                   +0 :              -0.00000608715687
                   +1 :              -0.00000000000000
                   +2 :               0.00001175409923
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00004581671298
                2s
                   +0 :              -0.00061521783356
                3s
                   +0 :               0.00015889244649
                2p
                   -1 :              -0.00038673164507
                   +1 :              -0.00050688447910
                3p
                   -1 :               0.00005164995301
                   +0 :               0.00000000000000
                   +1 :               0.00014127436871
                3d
                   -2 :              -0.00003092568598
                   -1 :              -0.00000000000000
                   +0 :               0.00000608715687
                   +1 :               0.00000000000000
                   +2 :              -0.00001175409923
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :              -0.00004973171129
                   +1 :               0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :               0.00004834429416
                   +1 :               0.00004239177589
                3d
                   -2 :               0.00000339273258
                   -1 :               0.00000231851935
                   +0 :               0.00000998746072
                   +1 :              -0.00002181193323
                   +2 :              -0.00001625815101
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :               0.00004973171129
                   +1 :               0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :              -0.00004834429416
                   +1 :               0.00004239177589
                3d
                   -2 :               0.00000339273258
                   -1 :              -0.00000231851935
                   +0 :               0.00000998746072
                   +1 :               0.00002181193323
                   +2 :              -0.00001625815101
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :               0.00004973171129
                   +1 :              -0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :              -0.00004834429416
                   +1 :              -0.00004239177589
                3d
                   -2 :               0.00000339273258
                   -1 :               0.00000231851935
                   +0 :              -0.00000998746072
                   +1 :               0.00002181193323
                   +2 :               0.00001625815101
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :              -0.00004973171129
                   +1 :              -0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :               0.00004834429416
                   +1 :              -0.00004239177589
                3d
                   -2 :               0.00000339273258
                   -1 :              -0.00000231851935
                   +0 :              -0.00000998746072
                   +1 :              -0.00002181193323
                   +2 :               0.00001625815101
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :               0.00014758821145
                   +1 :               0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :              -0.00005415480410
                   +1 :              -0.00005915915258
                3d
                   -2 :              -0.00001170924236
                   -1 :              -0.00001273784423
                   +0 :               0.00000334710338
                   +1 :               0.00001486566915
                   +2 :               0.00001071535837
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :              -0.00014758821145
                   +1 :               0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :               0.00005415480410
                   +1 :              -0.00005915915258
                3d
                   -2 :              -0.00001170924236
                   -1 :               0.00001273784423
                   +0 :               0.00000334710338
                   +1 :              -0.00001486566915
                   +2 :               0.00001071535837
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :              -0.00014758821145
                   +1 :              -0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :               0.00005415480410
                   +1 :               0.00005915915258
                3d
                   -2 :              -0.00001170924236
                   -1 :              -0.00001273784423
                   +0 :              -0.00000334710338
                   +1 :              -0.00001486566915
                   +2 :              -0.00001071535837
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :               0.00014758821145
                   +1 :              -0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :              -0.00005415480410
                   +1 :               0.00005915915258
                3d
                   -2 :              -0.00001170924236
                   -1 :               0.00001273784423
                   +0 :              -0.00000334710338
                   +1 :               0.00001486566915
                   +2 :              -0.00001071535837
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :               0.00014758821145
                   +1 :              -0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :              -0.00005415480410
                   +1 :               0.00005915915258
                3d
                   -2 :               0.00001170924236
                   -1 :              -0.00001273784423
                   +0 :               0.00000334710338
                   +1 :              -0.00001486566915
                   +2 :               0.00001071535837
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :              -0.00014758821145
                   +1 :              -0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :               0.00005415480410
                   +1 :               0.00005915915258
                3d
                   -2 :               0.00001170924236
                   -1 :               0.00001273784423
                   +0 :               0.00000334710338
                   +1 :               0.00001486566915
                   +2 :               0.00001071535837
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :              -0.00014758821145
                   +1 :               0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :               0.00005415480410
                   +1 :              -0.00005915915258
                3d
                   -2 :               0.00001170924236
                   -1 :              -0.00001273784423
                   +0 :              -0.00000334710338
                   +1 :               0.00001486566915
                   +2 :              -0.00001071535837
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :               0.00012482967791
                   +0 :               0.00014758821145
                   +1 :               0.00005937997504
                3p
                   -1 :               0.00005021239475
                   +0 :              -0.00005415480410
                   +1 :              -0.00005915915258
                3d
                   -2 :               0.00001170924236
                   -1 :               0.00001273784423
                   +0 :              -0.00000334710338
                   +1 :              -0.00001486566915
                   +2 :              -0.00001071535837
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :              -0.00004973171129
                   +1 :              -0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :               0.00004834429416
                   +1 :              -0.00004239177589
                3d
                   -2 :              -0.00000339273258
                   -1 :               0.00000231851935
                   +0 :               0.00000998746072
                   +1 :               0.00002181193323
                   +2 :              -0.00001625815101
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :               0.00004973171129
                   +1 :              -0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :              -0.00004834429416
                   +1 :              -0.00004239177589
                3d
                   -2 :              -0.00000339273258
                   -1 :              -0.00000231851935
                   +0 :               0.00000998746072
                   +1 :              -0.00002181193323
                   +2 :              -0.00001625815101
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :               0.00004973171129
                   +1 :               0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :              -0.00004834429416
                   +1 :               0.00004239177589
                3d
                   -2 :              -0.00000339273258
                   -1 :               0.00000231851935
                   +0 :              -0.00000998746072
                   +1 :              -0.00002181193323
                   +2 :               0.00001625815101
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :              -0.00014196827947
                   +0 :              -0.00004973171129
                   +1 :               0.00009554926756
                3p
                   -1 :               0.00000867388515
                   +0 :               0.00004834429416
                   +1 :               0.00004239177589
                3d
                   -2 :              -0.00000339273258
                   -1 :              -0.00000231851935
                   +0 :              -0.00000998746072
                   +1 :               0.00002181193323
                   +2 :               0.00001625815101
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site O (  5)  npairs=  34
              1 vec=    -3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00530014231866
                2s
                   +0 :              -0.08464501709063
                3s
                   +0 :               0.01148767691809
                2p
                   -1 :               0.02877843453851
                   +0 :              -0.00000000000000
                   +1 :               0.05223817987035
                3p
                   -1 :              -0.00681742579327
                   +1 :              -0.01118006831879
                3d
                   -2 :              -0.00183585228570
                   -1 :               0.00000000000000
                   +0 :               0.00169626802290
                   +1 :              -0.00000000000000
                   +2 :              -0.00168024758286
              2 vec=    -3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00530014231866
                2s
                   +0 :               0.08464501709063
                3s
                   +0 :              -0.01148767691809
                2p
                   -1 :               0.02877843453851
                   +0 :              -0.00000000000000
                   +1 :              -0.05223817987035
                3p
                   -1 :              -0.00681742579327
                   +1 :               0.01118006831879
                3d
                   -2 :              -0.00183585228570
                   -1 :               0.00000000000000
                   +0 :              -0.00169626802290
                   +1 :               0.00000000000000
                   +2 :               0.00168024758286
              3 vec=     3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00530014231866
                2s
                   +0 :              -0.08464501709063
                3s
                   +0 :               0.01148767691809
                2p
                   -1 :               0.02877843453851
                   +0 :               0.00000000000000
                   +1 :              -0.05223817987035
                3p
                   -1 :              -0.00681742579327
                   +1 :               0.01118006831879
                3d
                   -2 :               0.00183585228570
                   -1 :              -0.00000000000000
                   +0 :               0.00169626802290
                   +1 :              -0.00000000000000
                   +2 :              -0.00168024758286
              4 vec=     3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00530014231866
                2s
                   +0 :               0.08464501709063
                3s
                   +0 :              -0.01148767691809
                2p
                   -1 :               0.02877843453851
                   +0 :              -0.00000000000000
                   +1 :               0.05223817987035
                3p
                   -1 :              -0.00681742579327
                   +1 :              -0.01118006831879
                3d
                   -2 :               0.00183585228570
                   -1 :              -0.00000000000000
                   +0 :              -0.00169626802290
                   +1 :               0.00000000000000
                   +2 :               0.00168024758286
              5 vec=   -10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006112470659
                2s
                   +0 :               0.00115315127235
                3s
                   +0 :              -0.00014561130271
                2p
                   -1 :              -0.00117920072070
                   +0 :               0.00000000000000
                   +1 :               0.00138836225949
                3p
                   -1 :               0.00026301176706
                   +1 :              -0.00041504534308
                3d
                   -2 :               0.00010034318322
                   -1 :               0.00000000000000
                   +0 :              -0.00000868163693
                   +1 :              -0.00000000000000
                   +2 :               0.00000373940438
              6 vec=   -10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006112470659
                2s
                   +0 :              -0.00115315127235
                3s
                   +0 :               0.00014561130271
                2p
                   -1 :              -0.00117920072070
                   +1 :              -0.00138836225949
                3p
                   -1 :               0.00026301176706
                   +1 :               0.00041504534308
                3d
                   -2 :               0.00010034318322
                   -1 :               0.00000000000000
                   +0 :               0.00000868163693
                   +1 :               0.00000000000000
                   +2 :              -0.00000373940438
              7 vec=    -3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00019552226202
                2s
                   +0 :               0.00227911391514
                3s
                   +0 :              -0.00041105428837
                2p
                   -1 :               0.00000459471316
                   +1 :              -0.00149464931866
                3p
                   -1 :              -0.00001903906242
                   +1 :               0.00026802570227
                3d
                   -2 :               0.00011806054569
                   -1 :               0.00000000000000
                   +0 :              -0.00000384241573
                   +1 :               0.00000000000000
                   +2 :              -0.00000961648059
              8 vec=    -3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00019552226202
                2s
                   +0 :              -0.00227911391514
                3s
                   +0 :               0.00041105428837
                2p
                   -1 :               0.00000459471316
                   +0 :               0.00000000000000
                   +1 :               0.00149464931866
                3p
                   -1 :              -0.00001903906242
                   +1 :              -0.00026802570227
                3d
                   -2 :               0.00011806054569
                   +0 :               0.00000384241573
                   +1 :              -0.00000000000000
                   +2 :               0.00000961648059
              9 vec=     3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00019552226202
                2s
                   +0 :               0.00227911391514
                3s
                   +0 :              -0.00041105428837
                2p
                   -1 :               0.00000459471316
                   +0 :               0.00000000000000
                   +1 :               0.00149464931866
                3p
                   -1 :              -0.00001903906242
                   +1 :              -0.00026802570227
                3d
                   -2 :              -0.00011806054569
                   +0 :              -0.00000384241573
                   +1 :               0.00000000000000
                   +2 :              -0.00000961648059
             10 vec=     3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00019552226202
                2s
                   +0 :              -0.00227911391514
                3s
                   +0 :               0.00041105428837
                2p
                   -1 :               0.00000459471316
                   +0 :              -0.00000000000000
                   +1 :              -0.00149464931866
                3p
                   -1 :              -0.00001903906242
                   +1 :               0.00026802570227
                3d
                   -2 :              -0.00011806054569
                   -1 :               0.00000000000000
                   +0 :               0.00000384241573
                   +1 :              -0.00000000000000
                   +2 :               0.00000961648059
             11 vec=    10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006112470659
                2s
                   +0 :               0.00115315127235
                3s
                   +0 :              -0.00014561130271
                2p
                   -1 :              -0.00117920072070
                   +0 :              -0.00000000000000
                   +1 :              -0.00138836225949
                3p
                   -1 :               0.00026301176706
                   +1 :               0.00041504534308
                3d
                   -2 :              -0.00010034318322
                   -1 :              -0.00000000000000
                   +0 :              -0.00000868163693
                   +1 :              -0.00000000000000
                   +2 :               0.00000373940438
             12 vec=    10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006112470659
                2s
                   +0 :              -0.00115315127235
                3s
                   +0 :               0.00014561130271
                2p
                   -1 :              -0.00117920072070
                   +1 :               0.00138836225949
                3p
                   -1 :               0.00026301176706
                   +1 :              -0.00041504534308
                3d
                   -2 :              -0.00010034318322
                   -1 :              -0.00000000000000
                   +0 :               0.00000868163693
                   +1 :               0.00000000000000
                   +2 :              -0.00000373940438
             13 vec=     0.000000      0.000000    -12.518207   |vec|=   12.518207
                2p
                   -1 :              -0.00366197670780
                3p
                   -1 :               0.00093643534890
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002395626070
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             14 vec=     0.000000      0.000000     12.518207   |vec|=   12.518207
                2p
                   -1 :              -0.00366197670780
                3p
                   -1 :               0.00093643534890
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00002395626070
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             15 vec=    -7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00017837382138
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00011871524526
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000936802491
                   -1 :               0.00002990843284
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             16 vec=    -7.146377      0.000000     12.518207   |vec|=   14.414445
                2p
                   -1 :              -0.00017837382138
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00011871524526
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000936802491
                   -1 :              -0.00002990843284
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             17 vec=    -0.000000     -7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002325893763
                2s
                   +0 :               0.00037673548995
                3s
                   +0 :              -0.00032296297352
                2p
                   -1 :               0.00071152406829
                   +0 :              -0.00043586534550
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00018847493797
                   +0 :               0.00019496542562
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00005822218984
                   +0 :               0.00006299863915
                   +1 :              -0.00000000000000
                   +2 :               0.00006978205719
             18 vec=     0.000000     -7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002325893763
                2s
                   +0 :               0.00037673548995
                3s
                   +0 :              -0.00032296297352
                2p
                   -1 :               0.00071152406829
                   +0 :               0.00043586534550
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00018847493797
                   +0 :              -0.00019496542562
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00005822218984
                   +0 :               0.00006299863915
                   +1 :               0.00000000000000
                   +2 :               0.00006978205719
             19 vec=     0.000000      7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002325893763
                2s
                   +0 :              -0.00037673548995
                3s
                   +0 :               0.00032296297352
                2p
                   -1 :               0.00071152406829
                   +0 :               0.00043586534550
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00018847493797
                   +0 :              -0.00019496542562
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00005822218984
                   +0 :              -0.00006299863915
                   +1 :              -0.00000000000000
                   +2 :              -0.00006978205719
             20 vec=     0.000000      7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002325893763
                2s
                   +0 :              -0.00037673548995
                3s
                   +0 :               0.00032296297352
                2p
                   -1 :               0.00071152406829
                   +0 :              -0.00043586534550
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00018847493797
                   +0 :               0.00019496542562
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00005822218984
                   +0 :              -0.00006299863915
                   +1 :               0.00000000000000
                   +2 :              -0.00006978205719
             21 vec=     7.146377      0.000000    -12.518207   |vec|=   14.414445
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00017837382138
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00011871524526
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000936802491
                   -1 :               0.00002990843284
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             22 vec=     7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00017837382138
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00011871524526
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000936802491
                   -1 :              -0.00002990843284
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             23 vec=   -10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00018748150925
                2s
                   +0 :              -0.00254854303543
                3s
                   +0 :               0.00040072563932
                2p
                   -1 :               0.00117014364415
                   +1 :               0.00186902630869
                3p
                   -1 :              -0.00017420046109
                   +0 :              -0.00000000000000
                   +1 :              -0.00014453967509
                3d
                   -2 :              -0.00008911871757
                   +0 :               0.00005187411657
                   +1 :              -0.00000000000000
                   +2 :              -0.00001352359939
             24 vec=   -10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00018748150925
                2s
                   +0 :               0.00254854303543
                3s
                   +0 :              -0.00040072563932
                2p
                   -1 :               0.00117014364415
                   +0 :              -0.00000000000000
                   +1 :              -0.00186902630869
                3p
                   -1 :              -0.00017420046109
                   +0 :              -0.00000000000000
                   +1 :               0.00014453967509
                3d
                   -2 :              -0.00008911871757
                   -1 :               0.00000000000000
                   +0 :              -0.00005187411657
                   +1 :              -0.00000000000000
                   +2 :               0.00001352359939
             25 vec=    10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00018748150925
                2s
                   +0 :              -0.00254854303543
                3s
                   +0 :               0.00040072563932
                2p
                   -1 :               0.00117014364415
                   +0 :              -0.00000000000000
                   +1 :              -0.00186902630869
                3p
                   -1 :              -0.00017420046109
                   +0 :              -0.00000000000000
                   +1 :               0.00014453967509
                3d
                   -2 :               0.00008911871757
                   +0 :               0.00005187411657
                   +1 :               0.00000000000000
                   +2 :              -0.00001352359939
             26 vec=    10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00018748150925
                2s
                   +0 :               0.00254854303543
                3s
                   +0 :              -0.00040072563932
                2p
                   -1 :               0.00117014364415
                   +1 :               0.00186902630869
                3p
                   -1 :              -0.00017420046109
                   +1 :              -0.00014453967509
                3d
                   -2 :               0.00008911871757
                   +0 :              -0.00005187411657
                   +1 :               0.00000000000000
                   +2 :               0.00001352359939
             27 vec=    -7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :               0.00038695512966
                   +1 :               0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :              -0.00002337373189
                   +1 :              -0.00002882755650
                3d
                   -2 :              -0.00000601503806
                   -1 :              -0.00001736942019
                   +0 :               0.00000575720883
                   +1 :              -0.00000878650446
                   +2 :               0.00000718398405
             28 vec=    -7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :              -0.00038695512966
                   +1 :               0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :               0.00002337373189
                   +1 :              -0.00002882755650
                3d
                   -2 :              -0.00000601503806
                   -1 :               0.00001736942019
                   +0 :               0.00000575720883
                   +1 :               0.00000878650446
                   +2 :               0.00000718398405
             29 vec=    -7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :              -0.00038695512966
                   +1 :              -0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :               0.00002337373189
                   +1 :               0.00002882755650
                3d
                   -2 :              -0.00000601503806
                   -1 :              -0.00001736942019
                   +0 :              -0.00000575720883
                   +1 :               0.00000878650446
                   +2 :              -0.00000718398405
             30 vec=    -7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :               0.00038695512966
                   +1 :              -0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :              -0.00002337373189
                   +1 :               0.00002882755650
                3d
                   -2 :              -0.00000601503806
                   -1 :               0.00001736942019
                   +0 :              -0.00000575720883
                   +1 :              -0.00000878650446
                   +2 :              -0.00000718398405
             31 vec=     7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :               0.00038695512966
                   +1 :              -0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :              -0.00002337373189
                   +1 :               0.00002882755650
                3d
                   -2 :               0.00000601503806
                   -1 :              -0.00001736942019
                   +0 :               0.00000575720883
                   +1 :               0.00000878650446
                   +2 :               0.00000718398405
             32 vec=     7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :              -0.00038695512966
                   +1 :              -0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :               0.00002337373189
                   +1 :               0.00002882755650
                3d
                   -2 :               0.00000601503806
                   -1 :               0.00001736942019
                   +0 :               0.00000575720883
                   +1 :              -0.00000878650446
                   +2 :               0.00000718398405
             33 vec=     7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :              -0.00038695512966
                   +1 :               0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :               0.00002337373189
                   +1 :              -0.00002882755650
                3d
                   -2 :               0.00000601503806
                   -1 :              -0.00001736942019
                   +0 :              -0.00000575720883
                   +1 :              -0.00000878650446
                   +2 :              -0.00000718398405
             34 vec=     7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :               0.00019776010025
                   +0 :               0.00038695512966
                   +1 :               0.00024885032625
                3p
                   -1 :               0.00003516249347
                   +0 :              -0.00002337373189
                   +1 :              -0.00002882755650
                3d
                   -2 :               0.00000601503806
                   -1 :               0.00001736942019
                   +0 :              -0.00000575720883
                   +1 :               0.00000878650446
                   +2 :              -0.00000718398405
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site O (  6)  npairs=  34
              1 vec=     0.000000     -3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00123699422540
                2s
                   +0 :              -0.03326756860640
                3s
                   +0 :               0.00234316170308
                2p
                   -1 :               0.01197718399592
                   +0 :              -0.02911158377873
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00169175942291
                   +0 :               0.00408839262293
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00100452223670
                   +0 :              -0.00105576495930
                   +1 :              -0.00000000000000
                   +2 :               0.00053469212197
              2 vec=     0.000000      3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00123699422540
                2s
                   +0 :               0.03326756860640
                3s
                   +0 :              -0.00234316170308
                2p
                   -1 :               0.01197718399592
                   +0 :               0.02911158377873
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00169175942291
                   +0 :              -0.00408839262293
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00100452223670
                   +0 :               0.00105576495930
                   +1 :              -0.00000000000000
                   +2 :              -0.00053469212197
              3 vec=    -3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00402165906390
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00047804210397
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000957202288
                   -1 :              -0.00011397935596
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00402165906390
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00047804210397
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000957202288
                   -1 :              -0.00011397935596
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              5 vec=    -7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :              -0.00246259626471
                   +1 :              -0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :               0.00027884080051
                   +1 :               0.00004372358228
                3d
                   -2 :               0.00009901446107
                   -1 :              -0.00011561818602
                   +0 :              -0.00021047063504
                   +1 :               0.00008685121868
                   +2 :               0.00004609308723
              6 vec=    -7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :               0.00246259626471
                   +1 :               0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :              -0.00027884080051
                   +1 :              -0.00004372358228
                3d
                   -2 :               0.00009901446107
                   -1 :              -0.00011561818602
                   +0 :               0.00021047063504
                   +1 :              -0.00008685121868
                   +2 :              -0.00004609308723
              7 vec=     7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :              -0.00246259626471
                   +1 :               0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :               0.00027884080051
                   +1 :              -0.00004372358228
                3d
                   -2 :              -0.00009901446107
                   -1 :              -0.00011561818602
                   +0 :              -0.00021047063504
                   +1 :              -0.00008685121868
                   +2 :               0.00004609308723
              8 vec=     7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :               0.00246259626471
                   +1 :              -0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :              -0.00027884080051
                   +1 :               0.00004372358228
                3d
                   -2 :              -0.00009901446107
                   -1 :              -0.00011561818602
                   +0 :               0.00021047063504
                   +1 :               0.00008685121868
                   +2 :              -0.00004609308723
              9 vec=    -3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :               0.00219132266351
                   +1 :               0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :              -0.00053653147162
                   +1 :              -0.00004605314655
                3d
                   -2 :              -0.00000965938515
                   -1 :              -0.00007603629066
                   +0 :               0.00004316894165
                   +1 :              -0.00013448329437
                   +2 :              -0.00000030721953
             10 vec=    -3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :              -0.00219132266351
                   +1 :              -0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :               0.00053653147162
                   +1 :               0.00004605314655
                3d
                   -2 :              -0.00000965938515
                   -1 :              -0.00007603629066
                   +0 :              -0.00004316894165
                   +1 :               0.00013448329437
                   +2 :               0.00000030721953
             11 vec=     3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :               0.00219132266351
                   +1 :              -0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :              -0.00053653147162
                   +1 :               0.00004605314655
                3d
                   -2 :               0.00000965938515
                   -1 :              -0.00007603629066
                   +0 :               0.00004316894165
                   +1 :               0.00013448329437
                   +2 :              -0.00000030721953
             12 vec=     3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :              -0.00219132266351
                   +1 :               0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :               0.00053653147162
                   +1 :              -0.00004605314655
                3d
                   -2 :               0.00000965938515
                   -1 :              -0.00007603629066
                   +0 :              -0.00004316894165
                   +1 :              -0.00013448329437
                   +2 :               0.00000030721953
             13 vec=     0.000000    -10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000873214364
                2s
                   +0 :              -0.00020016209856
                3s
                   +0 :               0.00029693947399
                2p
                   -1 :               0.00197574932540
                   +0 :               0.00111553988825
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00038139056067
                   +0 :              -0.00006997622617
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00010044418224
                   +0 :               0.00011099333134
                   +1 :               0.00000000000000
                   +2 :               0.00000768740707
             14 vec=     0.000000     10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000873214364
                2s
                   +0 :               0.00020016209856
                3s
                   +0 :              -0.00029693947399
                2p
                   -1 :               0.00197574932540
                   +0 :              -0.00111553988825
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00038139056067
                   +0 :               0.00006997622617
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00010044418224
                   +0 :              -0.00011099333134
                   +1 :               0.00000000000000
                   +2 :              -0.00000768740707
             15 vec=   -10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00059385770395
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00006539318464
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000044328781
                   -1 :               0.00004087074871
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             16 vec=    10.719566      0.000000     -7.951565   |vec|=   13.346778
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00059385770395
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00006539318464
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000044328781
                   -1 :               0.00004087074871
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
             17 vec=    -7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :              -0.00051954457519
                   +1 :               0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :              -0.00002050861441
                   +1 :              -0.00010618501425
                3d
                   -2 :               0.00003992927373
                   -1 :               0.00002667947750
                   +0 :              -0.00005654182245
                   +1 :              -0.00004169700506
                   +2 :              -0.00004296264968
             18 vec=    -7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :               0.00051954457519
                   +1 :              -0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :               0.00002050861441
                   +1 :               0.00010618501425
                3d
                   -2 :               0.00003992927373
                   -1 :               0.00002667947750
                   +0 :               0.00005654182245
                   +1 :               0.00004169700506
                   +2 :               0.00004296264968
             19 vec=     7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :              -0.00051954457519
                   +1 :              -0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :              -0.00002050861441
                   +1 :               0.00010618501425
                3d
                   -2 :              -0.00003992927373
                   -1 :               0.00002667947750
                   +0 :              -0.00005654182245
                   +1 :               0.00004169700506
                   +2 :              -0.00004296264968
             20 vec=     7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :               0.00051954457519
                   +1 :               0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :               0.00002050861441
                   +1 :              -0.00010618501425
                3d
                   -2 :              -0.00003992927373
                   -1 :               0.00002667947750
                   +0 :               0.00005654182245
                   +1 :              -0.00004169700506
                   +2 :               0.00004296264968
             21 vec=   -10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :               0.00035459544563
                   +1 :              -0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :              -0.00012479589413
                   +1 :               0.00007534753646
                3d
                   -2 :               0.00000224466211
                   -1 :              -0.00001921364825
                   +0 :              -0.00000587482405
                   +1 :               0.00000959533019
                   +2 :               0.00001112265524
             22 vec=   -10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :              -0.00035459544563
                   +1 :               0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :               0.00012479589413
                   +1 :              -0.00007534753646
                3d
                   -2 :               0.00000224466211
                   -1 :              -0.00001921364825
                   +0 :               0.00000587482405
                   +1 :              -0.00000959533019
                   +2 :              -0.00001112265524
             23 vec=    10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :               0.00035459544563
                   +1 :               0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :              -0.00012479589413
                   +1 :              -0.00007534753646
                3d
                   -2 :              -0.00000224466211
                   -1 :              -0.00001921364825
                   +0 :              -0.00000587482405
                   +1 :              -0.00000959533019
                   +2 :               0.00001112265524
             24 vec=    10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :              -0.00035459544563
                   +1 :              -0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :               0.00012479589413
                   +1 :               0.00007534753646
                3d
                   -2 :              -0.00000224466211
                   -1 :              -0.00001921364825
                   +0 :               0.00000587482405
                   +1 :               0.00000959533019
                   +2 :              -0.00001112265524
             25 vec=   -14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :               0.00022255751367
                   +1 :               0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :              -0.00001920009915
                   +1 :              -0.00014272145994
                3d
                   -2 :               0.00001055068367
                   -1 :               0.00000445804998
                   +0 :               0.00001377358377
                   +1 :              -0.00002651242532
                   +2 :              -0.00000698756641
             26 vec=   -14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :              -0.00022255751367
                   +1 :              -0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :               0.00001920009915
                   +1 :               0.00014272145994
                3d
                   -2 :               0.00001055068367
                   -1 :               0.00000445804998
                   +0 :              -0.00001377358377
                   +1 :               0.00002651242532
                   +2 :               0.00000698756641
             27 vec=    14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :               0.00022255751367
                   +1 :              -0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :              -0.00001920009915
                   +1 :               0.00014272145994
                3d
                   -2 :              -0.00001055068367
                   -1 :               0.00000445804998
                   +0 :               0.00001377358377
                   +1 :               0.00002651242532
                   +2 :              -0.00000698756641
             28 vec=    14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :              -0.00022255751367
                   +1 :               0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :               0.00001920009915
                   +1 :              -0.00014272145994
                3d
                   -2 :              -0.00001055068367
                   -1 :               0.00000445804998
                   +0 :              -0.00001377358377
                   +1 :              -0.00002651242532
                   +2 :               0.00000698756641
             29 vec=    -3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :              -0.00005166762782
                   +1 :              -0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :               0.00003476653155
                   +1 :               0.00003831645732
                3d
                   -2 :              -0.00000609981550
                   -1 :              -0.00000399291448
                   +0 :               0.00000482997812
                   +1 :               0.00001588480482
                   +2 :               0.00000245419691
             30 vec=    -3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :               0.00005166762782
                   +1 :               0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :              -0.00003476653155
                   +1 :              -0.00003831645732
                3d
                   -2 :              -0.00000609981550
                   -1 :              -0.00000399291448
                   +0 :              -0.00000482997812
                   +1 :              -0.00001588480482
                   +2 :              -0.00000245419691
             31 vec=     3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :              -0.00005166762782
                   +1 :               0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :               0.00003476653155
                   +1 :              -0.00003831645732
                3d
                   -2 :               0.00000609981550
                   -1 :              -0.00000399291448
                   +0 :               0.00000482997812
                   +1 :              -0.00001588480482
                   +2 :               0.00000245419691
             32 vec=     3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :               0.00005166762782
                   +1 :              -0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :              -0.00003476653155
                   +1 :               0.00003831645732
                3d
                   -2 :               0.00000609981550
                   -1 :              -0.00000399291448
                   +0 :              -0.00000482997812
                   +1 :               0.00001588480482
                   +2 :              -0.00000245419691
             33 vec=    -3.573189      0.000000     17.084849   |vec|=   17.454505
                2p
                   -1 :              -0.00001307046897
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003640321106
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000947312084
                   -1 :              -0.00000676954790
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             34 vec=     3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00001307046897
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003640321106
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000947312084
                   -1 :              -0.00000676954790
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  6)=[O 2p-1]  to site O (  7)  npairs=  34
              1 vec=     0.000000     -3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00123699422540
                2s
                   +0 :              -0.03326756860640
                3s
                   +0 :               0.00234316170308
                2p
                   -1 :               0.01197718399592
                   +0 :               0.02911158377873
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00169175942291
                   +0 :              -0.00408839262293
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00100452223670
                   +0 :              -0.00105576495930
                   +1 :               0.00000000000000
                   +2 :               0.00053469212197
              2 vec=     0.000000      3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00123699422540
                2s
                   +0 :               0.03326756860640
                3s
                   +0 :              -0.00234316170308
                2p
                   -1 :               0.01197718399592
                   +0 :              -0.02911158377873
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00169175942291
                   +0 :               0.00408839262293
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00100452223670
                   +0 :               0.00105576495930
                   +1 :               0.00000000000000
                   +2 :              -0.00053469212197
              3 vec=    -3.573189      0.000000      7.951565   |vec|=    8.717515
                2p
                   -1 :               0.00402165906390
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00047804210397
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000957202288
                   -1 :               0.00011397935596
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00402165906390
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00047804210397
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000957202288
                   -1 :               0.00011397935596
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              5 vec=    -7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :               0.00246259626471
                   +1 :              -0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :              -0.00027884080051
                   +1 :               0.00004372358228
                3d
                   -2 :               0.00009901446107
                   -1 :               0.00011561818602
                   +0 :              -0.00021047063504
                   +1 :              -0.00008685121868
                   +2 :               0.00004609308723
              6 vec=    -7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :              -0.00246259626471
                   +1 :               0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :               0.00027884080051
                   +1 :              -0.00004372358228
                3d
                   -2 :               0.00009901446107
                   -1 :               0.00011561818602
                   +0 :               0.00021047063504
                   +1 :               0.00008685121868
                   +2 :              -0.00004609308723
              7 vec=     7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :               0.00246259626471
                   +1 :               0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :              -0.00027884080051
                   +1 :              -0.00004372358228
                3d
                   -2 :              -0.00009901446107
                   -1 :               0.00011561818602
                   +0 :              -0.00021047063504
                   +1 :               0.00008685121868
                   +2 :               0.00004609308723
              8 vec=     7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :              -0.00190358921607
                   +0 :              -0.00246259626471
                   +1 :              -0.00215274991470
                3p
                   -1 :               0.00032992690200
                   +0 :               0.00027884080051
                   +1 :               0.00004372358228
                3d
                   -2 :              -0.00009901446107
                   -1 :               0.00011561818602
                   +0 :               0.00021047063504
                   +1 :              -0.00008685121868
                   +2 :              -0.00004609308723
              9 vec=    -3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :              -0.00219132266351
                   +1 :               0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :               0.00053653147162
                   +1 :              -0.00004605314655
                3d
                   -2 :              -0.00000965938515
                   -1 :               0.00007603629066
                   +0 :               0.00004316894165
                   +1 :               0.00013448329437
                   +2 :              -0.00000030721953
             10 vec=    -3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :               0.00219132266351
                   +1 :              -0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :              -0.00053653147162
                   +1 :               0.00004605314655
                3d
                   -2 :              -0.00000965938515
                   -1 :               0.00007603629066
                   +0 :              -0.00004316894165
                   +1 :              -0.00013448329437
                   +2 :               0.00000030721953
             11 vec=     3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :              -0.00219132266351
                   +1 :              -0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :               0.00053653147162
                   +1 :               0.00004605314655
                3d
                   -2 :               0.00000965938515
                   -1 :               0.00007603629066
                   +0 :               0.00004316894165
                   +1 :              -0.00013448329437
                   +2 :              -0.00000030721953
             12 vec=     3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :              -0.00109750731920
                   +0 :               0.00219132266351
                   +1 :               0.00161623458569
                3p
                   -1 :               0.00035006950637
                   +0 :              -0.00053653147162
                   +1 :              -0.00004605314655
                3d
                   -2 :               0.00000965938515
                   -1 :               0.00007603629066
                   +0 :              -0.00004316894165
                   +1 :               0.00013448329437
                   +2 :               0.00000030721953
             13 vec=     0.000000    -10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000873214364
                2s
                   +0 :              -0.00020016209856
                3s
                   +0 :               0.00029693947399
                2p
                   -1 :               0.00197574932540
                   +0 :              -0.00111553988825
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00038139056067
                   +0 :               0.00006997622617
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00010044418224
                   +0 :               0.00011099333134
                   +1 :              -0.00000000000000
                   +2 :               0.00000768740707
             14 vec=     0.000000     10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000873214364
                2s
                   +0 :               0.00020016209856
                3s
                   +0 :              -0.00029693947399
                2p
                   -1 :               0.00197574932540
                   +0 :               0.00111553988825
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00038139056067
                   +0 :              -0.00006997622617
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00010044418224
                   +0 :              -0.00011099333134
                   +1 :              -0.00000000000000
                   +2 :              -0.00000768740707
             15 vec=   -10.719566      0.000000      7.951565   |vec|=   13.346778
                2p
                   -1 :              -0.00059385770395
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00006539318464
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000044328781
                   -1 :              -0.00004087074871
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             16 vec=    10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00059385770395
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00006539318464
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000044328781
                   -1 :              -0.00004087074871
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             17 vec=    -7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :               0.00051954457519
                   +1 :               0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :               0.00002050861441
                   +1 :              -0.00010618501425
                3d
                   -2 :               0.00003992927373
                   -1 :              -0.00002667947750
                   +0 :              -0.00005654182245
                   +1 :               0.00004169700506
                   +2 :              -0.00004296264968
             18 vec=    -7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :              -0.00051954457519
                   +1 :              -0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :              -0.00002050861441
                   +1 :               0.00010618501425
                3d
                   -2 :               0.00003992927373
                   -1 :              -0.00002667947750
                   +0 :               0.00005654182245
                   +1 :              -0.00004169700506
                   +2 :               0.00004296264968
             19 vec=     7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :               0.00051954457519
                   +1 :              -0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :               0.00002050861441
                   +1 :               0.00010618501425
                3d
                   -2 :              -0.00003992927373
                   -1 :              -0.00002667947750
                   +0 :              -0.00005654182245
                   +1 :              -0.00004169700506
                   +2 :              -0.00004296264968
             20 vec=     7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :              -0.00003970248433
                   +0 :              -0.00051954457519
                   +1 :               0.00043779943877
                3p
                   -1 :              -0.00030293530465
                   +0 :              -0.00002050861441
                   +1 :              -0.00010618501425
                3d
                   -2 :              -0.00003992927373
                   -1 :              -0.00002667947750
                   +0 :               0.00005654182245
                   +1 :               0.00004169700506
                   +2 :               0.00004296264968
             21 vec=   -10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :              -0.00035459544563
                   +1 :              -0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :               0.00012479589413
                   +1 :               0.00007534753646
                3d
                   -2 :               0.00000224466211
                   -1 :               0.00001921364825
                   +0 :              -0.00000587482405
                   +1 :              -0.00000959533019
                   +2 :               0.00001112265524
             22 vec=   -10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :               0.00035459544563
                   +1 :               0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :              -0.00012479589413
                   +1 :              -0.00007534753646
                3d
                   -2 :               0.00000224466211
                   -1 :               0.00001921364825
                   +0 :               0.00000587482405
                   +1 :               0.00000959533019
                   +2 :              -0.00001112265524
             23 vec=    10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :              -0.00035459544563
                   +1 :               0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :               0.00012479589413
                   +1 :              -0.00007534753646
                3d
                   -2 :              -0.00000224466211
                   -1 :               0.00001921364825
                   +0 :              -0.00000587482405
                   +1 :               0.00000959533019
                   +2 :               0.00001112265524
             24 vec=    10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :               0.00036873713567
                   +0 :               0.00035459544563
                   +1 :              -0.00060190539600
                3p
                   -1 :              -0.00004794867850
                   +0 :              -0.00012479589413
                   +1 :               0.00007534753646
                3d
                   -2 :              -0.00000224466211
                   -1 :               0.00001921364825
                   +0 :               0.00000587482405
                   +1 :              -0.00000959533019
                   +2 :              -0.00001112265524
             25 vec=   -14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :              -0.00022255751367
                   +1 :               0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :               0.00001920009915
                   +1 :              -0.00014272145994
                3d
                   -2 :               0.00001055068367
                   -1 :              -0.00000445804998
                   +0 :               0.00001377358377
                   +1 :               0.00002651242532
                   +2 :              -0.00000698756641
             26 vec=   -14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :               0.00022255751367
                   +1 :              -0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :              -0.00001920009915
                   +1 :               0.00014272145994
                3d
                   -2 :               0.00001055068367
                   -1 :              -0.00000445804998
                   +0 :              -0.00001377358377
                   +1 :              -0.00002651242532
                   +2 :               0.00000698756641
             27 vec=    14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :              -0.00022255751367
                   +1 :              -0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :               0.00001920009915
                   +1 :               0.00014272145994
                3d
                   -2 :              -0.00001055068367
                   -1 :              -0.00000445804998
                   +0 :               0.00001377358377
                   +1 :              -0.00002651242532
                   +2 :              -0.00000698756641
             28 vec=    14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :              -0.00009758168835
                   +0 :               0.00022255751367
                   +1 :               0.00057879406119
                3p
                   -1 :              -0.00003201434755
                   +0 :              -0.00001920009915
                   +1 :              -0.00014272145994
                3d
                   -2 :              -0.00001055068367
                   -1 :              -0.00000445804998
                   +0 :              -0.00001377358377
                   +1 :               0.00002651242532
                   +2 :               0.00000698756641
             29 vec=    -3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :               0.00005166762782
                   +1 :              -0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :              -0.00003476653155
                   +1 :               0.00003831645732
                3d
                   -2 :              -0.00000609981550
                   -1 :               0.00000399291448
                   +0 :               0.00000482997812
                   +1 :              -0.00001588480482
                   +2 :               0.00000245419691
             30 vec=    -3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :              -0.00005166762782
                   +1 :               0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :               0.00003476653155
                   +1 :              -0.00003831645732
                3d
                   -2 :              -0.00000609981550
                   -1 :               0.00000399291448
                   +0 :              -0.00000482997812
                   +1 :               0.00001588480482
                   +2 :              -0.00000245419691
             31 vec=     3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :               0.00005166762782
                   +1 :               0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :              -0.00003476653155
                   +1 :              -0.00003831645732
                3d
                   -2 :               0.00000609981550
                   -1 :               0.00000399291448
                   +0 :               0.00000482997812
                   +1 :               0.00001588480482
                   +2 :               0.00000245419691
             32 vec=     3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :               0.00023264954919
                   +0 :              -0.00005166762782
                   +1 :              -0.00025898621820
                3p
                   -1 :              -0.00001461499379
                   +0 :               0.00003476653155
                   +1 :               0.00003831645732
                3d
                   -2 :               0.00000609981550
                   -1 :               0.00000399291448
                   +0 :              -0.00000482997812
                   +1 :              -0.00001588480482
                   +2 :              -0.00000245419691
             33 vec=    -3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00001307046897
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003640321106
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000947312084
                   -1 :               0.00000676954790
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             34 vec=     3.573189      0.000000    -17.084849   |vec|=   17.454505
                2p
                   -1 :              -0.00001307046897
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003640321106
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000947312084
                   -1 :               0.00000676954790
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site La(  1)  npairs=  38
              1 vec=    -3.573189      0.000000     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.04127946709634
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.06566729713525
                   +1 :              -0.09567919358095
                6s
                   +0 :               0.01783480081795
                7s
                   +0 :               0.00229553545264
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01217943894392
                   +1 :              -0.06443591638660
                   +2 :              -0.05522204873662
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00362794962947
                   +1 :              -0.00490558296679
                   +2 :              -0.00133465728349
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00216725727084
                   +1 :              -0.00549435904788
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01475254658589
                   +1 :              -0.01270282561304
                   +2 :              -0.03132749218837
                   +3 :              -0.01853585593239
              2 vec=     3.573189      0.000000     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.04127946709634
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.06566729713525
                   +1 :               0.09567919358095
                6s
                   +0 :               0.01783480081795
                7s
                   +0 :               0.00229553545264
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.01217943894392
                   +1 :               0.06443591638660
                   +2 :              -0.05522204873662
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00362794962947
                   +1 :               0.00490558296679
                   +2 :              -0.00133465728349
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00216725727084
                   +1 :               0.00549435904788
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.01475254658589
                   +1 :               0.01270282561304
                   +2 :              -0.03132749218837
                   +3 :               0.01853585593239
              3 vec=    -3.573189     -7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :               0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :              -0.00055002749903
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :              -0.00079716822973
                   +0 :              -0.00084821302917
                   +1 :               0.00158066460153
                   +2 :              -0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :               0.00032312208979
                   +0 :               0.00034598653894
                   +1 :              -0.00029167972782
                   +2 :               0.00006040043700
                6p
                   -1 :               0.00012440781411
                   +0 :               0.00033210820600
                   +1 :              -0.00005676736322
                4f
                   -3 :              -0.00147951006321
                   -2 :              -0.00085304147635
                   -1 :              -0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :              -0.00047663199288
                   +2 :               0.00031079160124
                   +3 :               0.00094870498024
              4 vec=    -3.573189      7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :              -0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :              -0.00055002749903
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :               0.00079716822973
                   +0 :              -0.00084821302917
                   +1 :               0.00158066460153
                   +2 :              -0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :              -0.00032312208979
                   +0 :               0.00034598653894
                   +1 :              -0.00029167972782
                   +2 :               0.00006040043700
                6p
                   -1 :              -0.00012440781411
                   +0 :               0.00033210820600
                   +1 :              -0.00005676736322
                4f
                   -3 :               0.00147951006321
                   -2 :               0.00085304147635
                   -1 :               0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :              -0.00047663199288
                   +2 :               0.00031079160124
                   +3 :               0.00094870498024
              5 vec=     3.573189     -7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :               0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :               0.00055002749903
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :              -0.00079716822973
                   +0 :              -0.00084821302917
                   +1 :              -0.00158066460153
                   +2 :              -0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :               0.00032312208979
                   +0 :               0.00034598653894
                   +1 :               0.00029167972782
                   +2 :               0.00006040043700
                6p
                   -1 :               0.00012440781411
                   +0 :               0.00033210820600
                   +1 :               0.00005676736322
                4f
                   -3 :              -0.00147951006321
                   -2 :               0.00085304147635
                   -1 :              -0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :               0.00047663199288
                   +2 :               0.00031079160124
                   +3 :              -0.00094870498024
              6 vec=     3.573189      7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :              -0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :               0.00055002749903
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :               0.00079716822973
                   +0 :              -0.00084821302917
                   +1 :              -0.00158066460153
                   +2 :              -0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :              -0.00032312208979
                   +0 :               0.00034598653894
                   +1 :               0.00029167972782
                   +2 :               0.00006040043700
                6p
                   -1 :              -0.00012440781411
                   +0 :               0.00033210820600
                   +1 :               0.00005676736322
                4f
                   -3 :               0.00147951006321
                   -2 :              -0.00085304147635
                   -1 :               0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :               0.00047663199288
                   +2 :               0.00031079160124
                   +3 :              -0.00094870498024
              7 vec=     0.000000     -3.573189      9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00230954337332
                5p
                   -1 :              -0.00148493261069
                   +0 :              -0.00051993169399
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00146348368404
                7s
                   +0 :              -0.00007587939234
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00528013241728
                   +0 :               0.00603350911328
                   +2 :               0.00065232776045
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00129461129057
                   +0 :               0.00073140564984
                   +1 :               0.00000000000000
                   +2 :              -0.00000065669579
                6p
                   -1 :              -0.00030330393414
                   +0 :               0.00046453601232
                4f
                   -3 :               0.00076472417362
                   -2 :              -0.00000000000000
                   -1 :              -0.00290084019951
                   +0 :              -0.00458881425718
                   +1 :               0.00000000000000
                   +2 :              -0.00071767872813
                   +3 :              -0.00000000000000
              8 vec=     0.000000      3.573189      9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00230954337332
                5p
                   -1 :               0.00148493261069
                   +0 :              -0.00051993169399
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00146348368404
                7s
                   +0 :              -0.00007587939234
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00528013241728
                   +0 :               0.00603350911328
                   +1 :              -0.00000000000000
                   +2 :               0.00065232776045
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00129461129057
                   +0 :               0.00073140564984
                   +1 :              -0.00000000000000
                   +2 :              -0.00000065669579
                6p
                   -1 :               0.00030330393414
                   +0 :               0.00046453601232
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00076472417362
                   -2 :               0.00000000000000
                   -1 :               0.00290084019951
                   +0 :              -0.00458881425718
                   +1 :              -0.00000000000000
                   +2 :              -0.00071767872813
                   +3 :               0.00000000000000
              9 vec=   -10.719566      0.000000     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00022450221917
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007670793366
                   +1 :              -0.00279064054404
                6s
                   +0 :               0.00197006327262
                7s
                   +0 :               0.00004904223912
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00120686604766
                   +1 :               0.00056466695008
                   +2 :              -0.00081815225090
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00018604380902
                   +1 :              -0.00081731124735
                   +2 :               0.00014627076904
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00024676116885
                   +1 :              -0.00127664218987
                4f
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00033786596913
                   +1 :               0.00015035536602
                   +2 :              -0.00110862701630
                   +3 :              -0.00023899196256
             10 vec=    10.719566      0.000000     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00022450221917
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00007670793366
                   +1 :               0.00279064054404
                6s
                   +0 :               0.00197006327262
                7s
                   +0 :               0.00004904223912
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00120686604766
                   +1 :              -0.00056466695008
                   +2 :              -0.00081815225090
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00018604380902
                   +1 :               0.00081731124735
                   +2 :               0.00014627076904
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00024676116885
                   +1 :               0.00127664218987
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00033786596913
                   +1 :              -0.00015035536602
                   +2 :              -0.00110862701630
                   +3 :               0.00023899196256
             11 vec=    -7.146377     -3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :              -0.00019230524259
                   +0 :               0.00013107401584
                   +1 :               0.00008913327814
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :               0.00100959768330
                   +0 :               0.00060652960519
                   +1 :               0.00025885846651
                   +2 :               0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :               0.00071447494479
                   +0 :              -0.00046385736540
                   +1 :               0.00024611747861
                   +2 :               0.00006217455727
                6p
                   -1 :               0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :              -0.00000225137321
                4f
                   -3 :               0.00041974721422
                   -2 :               0.00019598458458
                   -1 :              -0.00077487980493
                   +0 :               0.00003219904765
                   +1 :              -0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :               0.00056642609151
             12 vec=    -7.146377      3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :               0.00019230524259
                   +0 :               0.00013107401584
                   +1 :               0.00008913327814
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :              -0.00100959768330
                   +0 :               0.00060652960519
                   +1 :               0.00025885846651
                   +2 :               0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :              -0.00071447494479
                   +0 :              -0.00046385736540
                   +1 :               0.00024611747861
                   +2 :               0.00006217455727
                6p
                   -1 :              -0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :              -0.00000225137321
                4f
                   -3 :              -0.00041974721422
                   -2 :              -0.00019598458458
                   -1 :               0.00077487980493
                   +0 :               0.00003219904765
                   +1 :              -0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :               0.00056642609151
             13 vec=     7.146377     -3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :              -0.00019230524259
                   +0 :               0.00013107401584
                   +1 :              -0.00008913327814
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :               0.00100959768330
                   +0 :               0.00060652960519
                   +1 :              -0.00025885846651
                   +2 :               0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :               0.00071447494479
                   +0 :              -0.00046385736540
                   +1 :              -0.00024611747861
                   +2 :               0.00006217455727
                6p
                   -1 :               0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :               0.00000225137321
                4f
                   -3 :               0.00041974721422
                   -2 :              -0.00019598458458
                   -1 :              -0.00077487980493
                   +0 :               0.00003219904765
                   +1 :               0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :              -0.00056642609151
             14 vec=     7.146377      3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :               0.00019230524259
                   +0 :               0.00013107401584
                   +1 :              -0.00008913327814
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :              -0.00100959768330
                   +0 :               0.00060652960519
                   +1 :              -0.00025885846651
                   +2 :               0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :              -0.00071447494479
                   +0 :              -0.00046385736540
                   +1 :              -0.00024611747861
                   +2 :               0.00006217455727
                6p
                   -1 :              -0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :               0.00000225137321
                4f
                   -3 :              -0.00041974721422
                   -2 :               0.00019598458458
                   -1 :               0.00077487980493
                   +0 :               0.00003219904765
                   +1 :               0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :              -0.00056642609151
             15 vec=   -10.719566     -7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :              -0.00010496252411
                   +0 :               0.00027610280559
                   +1 :              -0.00020768578734
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :               0.00088199855622
                   +0 :               0.00098698905226
                   +1 :               0.00097016474788
                   +2 :               0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :              -0.00010125450187
                   +0 :              -0.00004833134530
                   +1 :              -0.00009651193576
                   +2 :              -0.00004262716936
                6p
                   -1 :              -0.00019173936431
                   +0 :               0.00006573254624
                   +1 :              -0.00026340693407
                4f
                   -3 :              -0.00024781997375
                   -2 :               0.00051474482176
                   -1 :               0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :               0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :               0.00073046116115
             16 vec=   -10.719566      7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :               0.00010496252411
                   +0 :               0.00027610280559
                   +1 :              -0.00020768578734
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :              -0.00088199855622
                   +0 :               0.00098698905226
                   +1 :               0.00097016474788
                   +2 :               0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :               0.00010125450187
                   +0 :              -0.00004833134530
                   +1 :              -0.00009651193576
                   +2 :              -0.00004262716936
                6p
                   -1 :               0.00019173936431
                   +0 :               0.00006573254624
                   +1 :              -0.00026340693407
                4f
                   -3 :               0.00024781997375
                   -2 :              -0.00051474482176
                   -1 :              -0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :               0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :               0.00073046116115
             17 vec=    10.719566     -7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :              -0.00010496252411
                   +0 :               0.00027610280559
                   +1 :               0.00020768578734
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :               0.00088199855622
                   +0 :               0.00098698905226
                   +1 :              -0.00097016474788
                   +2 :               0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :              -0.00010125450187
                   +0 :              -0.00004833134530
                   +1 :               0.00009651193576
                   +2 :              -0.00004262716936
                6p
                   -1 :              -0.00019173936431
                   +0 :               0.00006573254624
                   +1 :               0.00026340693407
                4f
                   -3 :              -0.00024781997375
                   -2 :              -0.00051474482176
                   -1 :               0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :              -0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :              -0.00073046116115
             18 vec=    10.719566      7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :               0.00010496252411
                   +0 :               0.00027610280559
                   +1 :               0.00020768578734
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :              -0.00088199855622
                   +0 :               0.00098698905226
                   +1 :              -0.00097016474788
                   +2 :               0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :               0.00010125450187
                   +0 :              -0.00004833134530
                   +1 :               0.00009651193576
                   +2 :              -0.00004262716936
                6p
                   -1 :               0.00019173936431
                   +0 :               0.00006573254624
                   +1 :               0.00026340693407
                4f
                   -3 :               0.00024781997375
                   -2 :               0.00051474482176
                   -1 :              -0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :              -0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :              -0.00073046116115
             19 vec=     0.000000    -10.719566      9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00021776219014
                5p
                   -1 :               0.00005003294667
                   +0 :               0.00020491580866
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00043626830404
                7s
                   +0 :               0.00005882092797
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00051567177703
                   +0 :              -0.00030265691281
                   +2 :               0.00105863067138
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00027996447683
                   +0 :              -0.00008575327766
                   +1 :              -0.00000000000000
                   +2 :              -0.00012538473919
                6p
                   -1 :               0.00007980819143
                   +0 :              -0.00012193191273
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00043885198280
                   -2 :              -0.00000000000000
                   -1 :               0.00032186113501
                   +0 :               0.00038989399535
                   +1 :               0.00000000000000
                   +2 :              -0.00039276033208
                   +3 :              -0.00000000000000
             20 vec=     0.000000     10.719566      9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00021776219014
                5p
                   -1 :              -0.00005003294667
                   +0 :               0.00020491580866
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00043626830404
                7s
                   +0 :               0.00005882092797
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00051567177703
                   +0 :              -0.00030265691281
                   +1 :              -0.00000000000000
                   +2 :               0.00105863067138
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00027996447683
                   +0 :              -0.00008575327766
                   +1 :               0.00000000000000
                   +2 :              -0.00012538473919
                6p
                   -1 :              -0.00007980819143
                   +0 :              -0.00012193191273
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00043885198280
                   -2 :               0.00000000000000
                   -1 :              -0.00032186113501
                   +0 :               0.00038989399535
                   +1 :               0.00000000000000
                   +2 :              -0.00039276033208
                   +3 :              -0.00000000000000
             21 vec=    -3.573189    -14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :              -0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :               0.00001541931482
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :               0.00019332658174
                   +0 :               0.00015764691915
                   +1 :              -0.00012049323711
                   +2 :               0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :              -0.00007908743826
                   +0 :              -0.00005823285434
                   +1 :               0.00002103239887
                   +2 :              -0.00012821844315
                6p
                   -1 :              -0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :               0.00003323536044
                4f
                   -3 :               0.00040125728033
                   -2 :               0.00005222944870
                   -1 :               0.00021032058004
                   +0 :               0.00002910996144
                   +1 :               0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :               0.00001741439719
             22 vec=    -3.573189     14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :               0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :               0.00001541931482
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :              -0.00019332658174
                   +0 :               0.00015764691915
                   +1 :              -0.00012049323711
                   +2 :               0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :               0.00007908743826
                   +0 :              -0.00005823285434
                   +1 :               0.00002103239887
                   +2 :              -0.00012821844315
                6p
                   -1 :               0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :               0.00003323536044
                4f
                   -3 :              -0.00040125728033
                   -2 :              -0.00005222944870
                   -1 :              -0.00021032058004
                   +0 :               0.00002910996144
                   +1 :               0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :               0.00001741439719
             23 vec=     3.573189    -14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :              -0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :              -0.00001541931482
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :               0.00019332658174
                   +0 :               0.00015764691915
                   +1 :               0.00012049323711
                   +2 :               0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :              -0.00007908743826
                   +0 :              -0.00005823285434
                   +1 :              -0.00002103239887
                   +2 :              -0.00012821844315
                6p
                   -1 :              -0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :              -0.00003323536044
                4f
                   -3 :               0.00040125728033
                   -2 :              -0.00005222944870
                   -1 :               0.00021032058004
                   +0 :               0.00002910996144
                   +1 :              -0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :              -0.00001741439719
             24 vec=     3.573189     14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :               0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :              -0.00001541931482
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :              -0.00019332658174
                   +0 :               0.00015764691915
                   +1 :               0.00012049323711
                   +2 :               0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :               0.00007908743826
                   +0 :              -0.00005823285434
                   +1 :              -0.00002103239887
                   +2 :              -0.00012821844315
                6p
                   -1 :               0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :              -0.00003323536044
                4f
                   -3 :              -0.00040125728033
                   -2 :               0.00005222944870
                   -1 :              -0.00021032058004
                   +0 :               0.00002910996144
                   +1 :              -0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :              -0.00001741439719
             25 vec=    -7.146377    -10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :               0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :               0.00001839799174
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :               0.00000095645905
                   +0 :              -0.00013075127907
                   +1 :              -0.00004871431986
                   +2 :               0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :               0.00004654881293
                   +0 :               0.00000417867534
                   +1 :               0.00004256903783
                   +2 :              -0.00009508356365
                6p
                   -1 :               0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :               0.00006159638205
                4f
                   -3 :               0.00033992812014
                   -2 :              -0.00004069815961
                   -1 :              -0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :              -0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :               0.00004054917584
             26 vec=    -7.146377     10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :              -0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :               0.00001839799174
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :              -0.00000095645905
                   +0 :              -0.00013075127907
                   +1 :              -0.00004871431986
                   +2 :               0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :              -0.00004654881293
                   +0 :               0.00000417867534
                   +1 :               0.00004256903783
                   +2 :              -0.00009508356365
                6p
                   -1 :              -0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :               0.00006159638205
                4f
                   -3 :              -0.00033992812014
                   -2 :               0.00004069815961
                   -1 :               0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :              -0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :               0.00004054917584
             27 vec=     7.146377    -10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :               0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :              -0.00001839799174
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :               0.00000095645905
                   +0 :              -0.00013075127907
                   +1 :               0.00004871431986
                   +2 :               0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :               0.00004654881293
                   +0 :               0.00000417867534
                   +1 :              -0.00004256903783
                   +2 :              -0.00009508356365
                6p
                   -1 :               0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :              -0.00006159638205
                4f
                   -3 :               0.00033992812014
                   -2 :               0.00004069815961
                   -1 :              -0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :               0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :              -0.00004054917584
             28 vec=     7.146377     10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :              -0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :              -0.00001839799174
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :              -0.00000095645905
                   +0 :              -0.00013075127907
                   +1 :               0.00004871431986
                   +2 :               0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :              -0.00004654881293
                   +0 :               0.00000417867534
                   +1 :              -0.00004256903783
                   +2 :              -0.00009508356365
                6p
                   -1 :              -0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :              -0.00006159638205
                4f
                   -3 :              -0.00033992812014
                   -2 :              -0.00004069815961
                   -1 :               0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :               0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :              -0.00004054917584
             29 vec=     0.000000     -3.573189    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00006555531155
                5p
                   -1 :              -0.00022300709583
                   +0 :              -0.00046058148214
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00044923700156
                7s
                   +0 :              -0.00000268796827
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00054960224376
                   +0 :              -0.00051920995441
                   +1 :              -0.00000000000000
                   +2 :              -0.00019874633765
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00003101413890
                   +0 :               0.00017339373169
                   +1 :              -0.00000000000000
                   +2 :               0.00003357719129
                6p
                   -1 :              -0.00002794847968
                   +0 :              -0.00008200015026
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00021247948204
                   -2 :               0.00000000000000
                   -1 :              -0.00016902019222
                   +0 :              -0.00012571801370
                   +1 :              -0.00000000000000
                   +2 :               0.00002515034958
                   +3 :               0.00000000000000
             30 vec=     0.000000      3.573189    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00006555531155
                5p
                   -1 :               0.00022300709583
                   +0 :              -0.00046058148214
                6s
                   +0 :               0.00044923700156
                7s
                   +0 :              -0.00000268796827
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00054960224376
                   +0 :              -0.00051920995441
                   +1 :               0.00000000000000
                   +2 :              -0.00019874633765
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003101413890
                   +0 :               0.00017339373169
                   +1 :              -0.00000000000000
                   +2 :               0.00003357719129
                6p
                   -1 :               0.00002794847968
                   +0 :              -0.00008200015026
                4f
                   -3 :              -0.00021247948204
                   -2 :              -0.00000000000000
                   -1 :               0.00016902019222
                   +0 :              -0.00012571801370
                   +1 :               0.00000000000000
                   +2 :               0.00002515034958
                   +3 :              -0.00000000000000
             31 vec=   -14.292755     -3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :               0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :               0.00007689382838
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :               0.00002139153256
                   +0 :              -0.00011409890686
                   +1 :              -0.00021576977093
                   +2 :               0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :               0.00003614696917
                   +0 :               0.00003386527501
                   +1 :               0.00008234263744
                   +2 :              -0.00017950261659
                6p
                   -1 :              -0.00006795787151
                   +0 :               0.00003295719875
                   +1 :               0.00005020106588
                4f
                   -3 :               0.00009883957644
                   -2 :              -0.00002068703895
                   -1 :               0.00006827076983
                   +0 :               0.00000755195469
                   +1 :              -0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :               0.00032146156183
             32 vec=   -14.292755      3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :              -0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :               0.00007689382838
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :              -0.00002139153256
                   +0 :              -0.00011409890686
                   +1 :              -0.00021576977093
                   +2 :               0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :              -0.00003614696917
                   +0 :               0.00003386527501
                   +1 :               0.00008234263744
                   +2 :              -0.00017950261659
                6p
                   -1 :               0.00006795787151
                   +0 :               0.00003295719875
                   +1 :               0.00005020106588
                4f
                   -3 :              -0.00009883957644
                   -2 :               0.00002068703895
                   -1 :              -0.00006827076983
                   +0 :               0.00000755195469
                   +1 :              -0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :               0.00032146156183
             33 vec=    14.292755     -3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :               0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :              -0.00007689382838
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :               0.00002139153256
                   +0 :              -0.00011409890686
                   +1 :               0.00021576977093
                   +2 :               0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :               0.00003614696917
                   +0 :               0.00003386527501
                   +1 :              -0.00008234263744
                   +2 :              -0.00017950261659
                6p
                   -1 :              -0.00006795787151
                   +0 :               0.00003295719875
                   +1 :              -0.00005020106588
                4f
                   -3 :               0.00009883957644
                   -2 :               0.00002068703895
                   -1 :               0.00006827076983
                   +0 :               0.00000755195469
                   +1 :               0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :              -0.00032146156183
             34 vec=    14.292755      3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :              -0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :              -0.00007689382838
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :              -0.00002139153256
                   +0 :              -0.00011409890686
                   +1 :               0.00021576977093
                   +2 :               0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :              -0.00003614696917
                   +0 :               0.00003386527501
                   +1 :              -0.00008234263744
                   +2 :              -0.00017950261659
                6p
                   -1 :               0.00006795787151
                   +0 :               0.00003295719875
                   +1 :              -0.00005020106588
                4f
                   -3 :              -0.00009883957644
                   -2 :              -0.00002068703895
                   -1 :              -0.00006827076983
                   +0 :               0.00000755195469
                   +1 :               0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :              -0.00032146156183
             35 vec=    -7.146377     -3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :              -0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :              -0.00011568892937
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :               0.00014190555534
                   +0 :               0.00006187107935
                   +1 :              -0.00034077778033
                   +2 :              -0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :              -0.00008203279828
                   +0 :              -0.00010253598158
                   +1 :              -0.00001254759699
                   +2 :               0.00006583903567
                6p
                   -1 :               0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :              -0.00001495187633
                4f
                   -3 :               0.00007051555503
                   -2 :               0.00010507542416
                   -1 :               0.00006073602824
                   +0 :               0.00009951932763
                   +1 :              -0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :              -0.00015893910375
             36 vec=    -7.146377      3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :               0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :              -0.00011568892937
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :              -0.00014190555534
                   +0 :               0.00006187107935
                   +1 :              -0.00034077778033
                   +2 :              -0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :               0.00008203279828
                   +0 :              -0.00010253598158
                   +1 :              -0.00001254759699
                   +2 :               0.00006583903567
                6p
                   -1 :              -0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :              -0.00001495187633
                4f
                   -3 :              -0.00007051555503
                   -2 :              -0.00010507542416
                   -1 :              -0.00006073602824
                   +0 :               0.00009951932763
                   +1 :              -0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :              -0.00015893910375
             37 vec=     7.146377     -3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :              -0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :               0.00011568892937
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :               0.00014190555534
                   +0 :               0.00006187107935
                   +1 :               0.00034077778033
                   +2 :              -0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :              -0.00008203279828
                   +0 :              -0.00010253598158
                   +1 :               0.00001254759699
                   +2 :               0.00006583903567
                6p
                   -1 :               0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :               0.00001495187633
                4f
                   -3 :               0.00007051555503
                   -2 :              -0.00010507542416
                   -1 :               0.00006073602824
                   +0 :               0.00009951932763
                   +1 :               0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :               0.00015893910375
             38 vec=     7.146377      3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :               0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :               0.00011568892937
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :              -0.00014190555534
                   +0 :               0.00006187107935
                   +1 :               0.00034077778033
                   +2 :              -0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :               0.00008203279828
                   +0 :              -0.00010253598158
                   +1 :               0.00001254759699
                   +2 :               0.00006583903567
                6p
                   -1 :              -0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :               0.00001495187633
                4f
                   -3 :              -0.00007051555503
                   -2 :               0.00010507542416
                   -1 :              -0.00006073602824
                   +0 :               0.00009951932763
                   +1 :               0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :               0.00015893910375
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site La(  2)  npairs=  38
              1 vec=    -3.573189      0.000000      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.04127946709634
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.06566729713525
                   +1 :               0.09567919358095
                6s
                   +0 :              -0.01783480081795
                7s
                   +0 :              -0.00229553545264
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.01217943894392
                   +1 :              -0.06443591638660
                   +2 :               0.05522204873662
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00362794962947
                   +1 :              -0.00490558296679
                   +2 :               0.00133465728349
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00216725727084
                   +1 :               0.00549435904788
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.01475254658589
                   +1 :               0.01270282561304
                   +2 :              -0.03132749218837
                   +3 :               0.01853585593239
              2 vec=     3.573189      0.000000      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.04127946709634
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.06566729713525
                   +1 :              -0.09567919358095
                6s
                   +0 :              -0.01783480081795
                7s
                   +0 :              -0.00229553545264
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.01217943894392
                   +1 :               0.06443591638660
                   +2 :               0.05522204873662
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00362794962947
                   +1 :               0.00490558296679
                   +2 :               0.00133465728349
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00216725727084
                   +1 :              -0.00549435904788
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01475254658589
                   +1 :              -0.01270282561304
                   +2 :              -0.03132749218837
                   +3 :              -0.01853585593239
              3 vec=    -3.573189     -7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :              -0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :               0.00055002749903
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :              -0.00079716822973
                   +0 :               0.00084821302917
                   +1 :               0.00158066460153
                   +2 :               0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :               0.00032312208979
                   +0 :              -0.00034598653894
                   +1 :              -0.00029167972782
                   +2 :              -0.00006040043700
                6p
                   -1 :              -0.00012440781411
                   +0 :               0.00033210820600
                   +1 :               0.00005676736322
                4f
                   -3 :               0.00147951006321
                   -2 :              -0.00085304147635
                   -1 :               0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :               0.00047663199288
                   +2 :               0.00031079160124
                   +3 :              -0.00094870498024
              4 vec=    -3.573189      7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :               0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :               0.00055002749903
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :               0.00079716822973
                   +0 :               0.00084821302917
                   +1 :               0.00158066460153
                   +2 :               0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :              -0.00032312208979
                   +0 :              -0.00034598653894
                   +1 :              -0.00029167972782
                   +2 :              -0.00006040043700
                6p
                   -1 :               0.00012440781411
                   +0 :               0.00033210820600
                   +1 :               0.00005676736322
                4f
                   -3 :              -0.00147951006321
                   -2 :               0.00085304147635
                   -1 :              -0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :               0.00047663199288
                   +2 :               0.00031079160124
                   +3 :              -0.00094870498024
              5 vec=     3.573189     -7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :              -0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :              -0.00055002749903
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :              -0.00079716822973
                   +0 :               0.00084821302917
                   +1 :              -0.00158066460153
                   +2 :               0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :               0.00032312208979
                   +0 :              -0.00034598653894
                   +1 :               0.00029167972782
                   +2 :              -0.00006040043700
                6p
                   -1 :              -0.00012440781411
                   +0 :               0.00033210820600
                   +1 :              -0.00005676736322
                4f
                   -3 :               0.00147951006321
                   -2 :               0.00085304147635
                   -1 :               0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :              -0.00047663199288
                   +2 :               0.00031079160124
                   +3 :               0.00094870498024
              6 vec=     3.573189      7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :               0.00050173921368
                   +0 :              -0.00052778043993
                   +1 :              -0.00055002749903
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :               0.00079716822973
                   +0 :               0.00084821302917
                   +1 :              -0.00158066460153
                   +2 :               0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :              -0.00032312208979
                   +0 :              -0.00034598653894
                   +1 :               0.00029167972782
                   +2 :              -0.00006040043700
                6p
                   -1 :               0.00012440781411
                   +0 :               0.00033210820600
                   +1 :              -0.00005676736322
                4f
                   -3 :              -0.00147951006321
                   -2 :              -0.00085304147635
                   -1 :              -0.00094520748035
                   +0 :              -0.00098829557679
                   +1 :              -0.00047663199288
                   +2 :               0.00031079160124
                   +3 :               0.00094870498024
              7 vec=     0.000000     -3.573189     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00230954337332
                5p
                   -1 :               0.00148493261069
                   +0 :              -0.00051993169399
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00146348368404
                7s
                   +0 :               0.00007587939234
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00528013241728
                   +0 :              -0.00603350911328
                   +1 :               0.00000000000000
                   +2 :              -0.00065232776045
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00129461129057
                   +0 :              -0.00073140564984
                   +1 :               0.00000000000000
                   +2 :               0.00000065669579
                6p
                   -1 :               0.00030330393414
                   +0 :               0.00046453601232
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00076472417362
                   -2 :               0.00000000000000
                   -1 :               0.00290084019951
                   +0 :              -0.00458881425718
                   +1 :              -0.00000000000000
                   +2 :              -0.00071767872813
                   +3 :               0.00000000000000
              8 vec=     0.000000      3.573189     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00230954337332
                5p
                   -1 :              -0.00148493261069
                   +0 :              -0.00051993169399
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00146348368404
                7s
                   +0 :               0.00007587939234
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00528013241728
                   +0 :              -0.00603350911328
                   +2 :              -0.00065232776045
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00129461129057
                   +0 :              -0.00073140564984
                   +1 :              -0.00000000000000
                   +2 :               0.00000065669579
                6p
                   -1 :              -0.00030330393414
                   +0 :               0.00046453601232
                4f
                   -3 :               0.00076472417362
                   -2 :              -0.00000000000000
                   -1 :              -0.00290084019951
                   +0 :              -0.00458881425718
                   +1 :               0.00000000000000
                   +2 :              -0.00071767872813
                   +3 :              -0.00000000000000
              9 vec=   -10.719566      0.000000      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00022450221917
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00007670793366
                   +1 :               0.00279064054404
                6s
                   +0 :              -0.00197006327262
                7s
                   +0 :              -0.00004904223912
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00120686604766
                   +1 :               0.00056466695008
                   +2 :               0.00081815225090
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00018604380902
                   +1 :              -0.00081731124735
                   +2 :              -0.00014627076904
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00024676116885
                   +1 :               0.00127664218987
                4f
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00033786596913
                   +1 :              -0.00015035536602
                   +2 :              -0.00110862701630
                   +3 :               0.00023899196256
             10 vec=    10.719566      0.000000      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00022450221917
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007670793366
                   +1 :              -0.00279064054404
                6s
                   +0 :              -0.00197006327262
                7s
                   +0 :              -0.00004904223912
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00120686604766
                   +1 :              -0.00056466695008
                   +2 :               0.00081815225090
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00018604380902
                   +1 :               0.00081731124735
                   +2 :              -0.00014627076904
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00024676116885
                   +1 :              -0.00127664218987
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00033786596913
                   +1 :               0.00015035536602
                   +2 :              -0.00110862701630
                   +3 :              -0.00023899196256
             11 vec=    -7.146377     -3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :               0.00019230524259
                   +0 :               0.00013107401584
                   +1 :              -0.00008913327814
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :               0.00100959768330
                   +0 :              -0.00060652960519
                   +1 :               0.00025885846651
                   +2 :              -0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :               0.00071447494479
                   +0 :               0.00046385736540
                   +1 :               0.00024611747861
                   +2 :              -0.00006217455727
                6p
                   -1 :              -0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :               0.00000225137321
                4f
                   -3 :              -0.00041974721422
                   -2 :               0.00019598458458
                   -1 :               0.00077487980493
                   +0 :               0.00003219904765
                   +1 :               0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :              -0.00056642609151
             12 vec=    -7.146377      3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :              -0.00019230524259
                   +0 :               0.00013107401584
                   +1 :              -0.00008913327814
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :              -0.00100959768330
                   +0 :              -0.00060652960519
                   +1 :               0.00025885846651
                   +2 :              -0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :              -0.00071447494479
                   +0 :               0.00046385736540
                   +1 :               0.00024611747861
                   +2 :              -0.00006217455727
                6p
                   -1 :               0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :               0.00000225137321
                4f
                   -3 :               0.00041974721422
                   -2 :              -0.00019598458458
                   -1 :              -0.00077487980493
                   +0 :               0.00003219904765
                   +1 :               0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :              -0.00056642609151
             13 vec=     7.146377     -3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :               0.00019230524259
                   +0 :               0.00013107401584
                   +1 :               0.00008913327814
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :               0.00100959768330
                   +0 :              -0.00060652960519
                   +1 :              -0.00025885846651
                   +2 :              -0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :               0.00071447494479
                   +0 :               0.00046385736540
                   +1 :              -0.00024611747861
                   +2 :              -0.00006217455727
                6p
                   -1 :              -0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :              -0.00000225137321
                4f
                   -3 :              -0.00041974721422
                   -2 :              -0.00019598458458
                   -1 :               0.00077487980493
                   +0 :               0.00003219904765
                   +1 :              -0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :               0.00056642609151
             14 vec=     7.146377      3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :              -0.00019230524259
                   +0 :               0.00013107401584
                   +1 :               0.00008913327814
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :              -0.00100959768330
                   +0 :              -0.00060652960519
                   +1 :              -0.00025885846651
                   +2 :              -0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :              -0.00071447494479
                   +0 :               0.00046385736540
                   +1 :              -0.00024611747861
                   +2 :              -0.00006217455727
                6p
                   -1 :               0.00002873016068
                   +0 :              -0.00032521128097
                   +1 :              -0.00000225137321
                4f
                   -3 :               0.00041974721422
                   -2 :               0.00019598458458
                   -1 :              -0.00077487980493
                   +0 :               0.00003219904765
                   +1 :              -0.00020793112235
                   +2 :              -0.00089888217152
                   +3 :               0.00056642609151
             15 vec=   -10.719566     -7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :               0.00010496252411
                   +0 :               0.00027610280559
                   +1 :               0.00020768578734
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :               0.00088199855622
                   +0 :              -0.00098698905226
                   +1 :               0.00097016474788
                   +2 :              -0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :              -0.00010125450187
                   +0 :               0.00004833134530
                   +1 :              -0.00009651193576
                   +2 :               0.00004262716936
                6p
                   -1 :               0.00019173936431
                   +0 :               0.00006573254624
                   +1 :               0.00026340693407
                4f
                   -3 :               0.00024781997375
                   -2 :               0.00051474482176
                   -1 :              -0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :              -0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :              -0.00073046116115
             16 vec=   -10.719566      7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :              -0.00010496252411
                   +0 :               0.00027610280559
                   +1 :               0.00020768578734
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :              -0.00088199855622
                   +0 :              -0.00098698905226
                   +1 :               0.00097016474788
                   +2 :              -0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :               0.00010125450187
                   +0 :               0.00004833134530
                   +1 :              -0.00009651193576
                   +2 :               0.00004262716936
                6p
                   -1 :              -0.00019173936431
                   +0 :               0.00006573254624
                   +1 :               0.00026340693407
                4f
                   -3 :              -0.00024781997375
                   -2 :              -0.00051474482176
                   -1 :               0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :              -0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :              -0.00073046116115
             17 vec=    10.719566     -7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :               0.00010496252411
                   +0 :               0.00027610280559
                   +1 :              -0.00020768578734
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :               0.00088199855622
                   +0 :              -0.00098698905226
                   +1 :              -0.00097016474788
                   +2 :              -0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :              -0.00010125450187
                   +0 :               0.00004833134530
                   +1 :               0.00009651193576
                   +2 :               0.00004262716936
                6p
                   -1 :               0.00019173936431
                   +0 :               0.00006573254624
                   +1 :              -0.00026340693407
                4f
                   -3 :               0.00024781997375
                   -2 :              -0.00051474482176
                   -1 :              -0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :               0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :               0.00073046116115
             18 vec=    10.719566      7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :              -0.00010496252411
                   +0 :               0.00027610280559
                   +1 :              -0.00020768578734
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :              -0.00088199855622
                   +0 :              -0.00098698905226
                   +1 :              -0.00097016474788
                   +2 :              -0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :               0.00010125450187
                   +0 :               0.00004833134530
                   +1 :               0.00009651193576
                   +2 :               0.00004262716936
                6p
                   -1 :              -0.00019173936431
                   +0 :               0.00006573254624
                   +1 :              -0.00026340693407
                4f
                   -3 :              -0.00024781997375
                   -2 :               0.00051474482176
                   -1 :               0.00039685382606
                   +0 :              -0.00045009981386
                   +1 :               0.00017501729436
                   +2 :              -0.00046891102346
                   +3 :               0.00073046116115
             19 vec=     0.000000    -10.719566     -9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00021776219014
                5p
                   -1 :              -0.00005003294667
                   +0 :               0.00020491580866
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00043626830404
                7s
                   +0 :              -0.00005882092797
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00051567177703
                   +0 :               0.00030265691281
                   +1 :               0.00000000000000
                   +2 :              -0.00105863067138
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00027996447683
                   +0 :               0.00008575327766
                   +1 :              -0.00000000000000
                   +2 :               0.00012538473919
                6p
                   -1 :              -0.00007980819143
                   +0 :              -0.00012193191273
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00043885198280
                   -2 :               0.00000000000000
                   -1 :              -0.00032186113501
                   +0 :               0.00038989399535
                   +1 :               0.00000000000000
                   +2 :              -0.00039276033208
                   +3 :              -0.00000000000000
             20 vec=     0.000000     10.719566     -9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00021776219014
                5p
                   -1 :               0.00005003294667
                   +0 :               0.00020491580866
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00043626830404
                7s
                   +0 :              -0.00005882092797
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00051567177703
                   +0 :               0.00030265691281
                   +2 :              -0.00105863067138
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00027996447683
                   +0 :               0.00008575327766
                   +1 :               0.00000000000000
                   +2 :               0.00012538473919
                6p
                   -1 :               0.00007980819143
                   +0 :              -0.00012193191273
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00043885198280
                   -2 :              -0.00000000000000
                   -1 :               0.00032186113501
                   +0 :               0.00038989399535
                   +2 :              -0.00039276033208
                   +3 :              -0.00000000000000
             21 vec=    -3.573189    -14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :               0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :              -0.00001541931482
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :               0.00019332658174
                   +0 :              -0.00015764691915
                   +1 :              -0.00012049323711
                   +2 :              -0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :              -0.00007908743826
                   +0 :               0.00005823285434
                   +1 :               0.00002103239887
                   +2 :               0.00012821844315
                6p
                   -1 :               0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :              -0.00003323536044
                4f
                   -3 :              -0.00040125728033
                   -2 :               0.00005222944870
                   -1 :              -0.00021032058004
                   +0 :               0.00002910996144
                   +1 :              -0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :              -0.00001741439719
             22 vec=    -3.573189     14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :              -0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :              -0.00001541931482
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :              -0.00019332658174
                   +0 :              -0.00015764691915
                   +1 :              -0.00012049323711
                   +2 :              -0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :               0.00007908743826
                   +0 :               0.00005823285434
                   +1 :               0.00002103239887
                   +2 :               0.00012821844315
                6p
                   -1 :              -0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :              -0.00003323536044
                4f
                   -3 :               0.00040125728033
                   -2 :              -0.00005222944870
                   -1 :               0.00021032058004
                   +0 :               0.00002910996144
                   +1 :              -0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :              -0.00001741439719
             23 vec=     3.573189    -14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :               0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :               0.00001541931482
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :               0.00019332658174
                   +0 :              -0.00015764691915
                   +1 :               0.00012049323711
                   +2 :              -0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :              -0.00007908743826
                   +0 :               0.00005823285434
                   +1 :              -0.00002103239887
                   +2 :               0.00012821844315
                6p
                   -1 :               0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :               0.00003323536044
                4f
                   -3 :              -0.00040125728033
                   -2 :              -0.00005222944870
                   -1 :              -0.00021032058004
                   +0 :               0.00002910996144
                   +1 :               0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :               0.00001741439719
             24 vec=     3.573189     14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :              -0.00003031652726
                   +0 :              -0.00000139370900
                   +1 :               0.00001541931482
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :              -0.00019332658174
                   +0 :              -0.00015764691915
                   +1 :               0.00012049323711
                   +2 :              -0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :               0.00007908743826
                   +0 :               0.00005823285434
                   +1 :              -0.00002103239887
                   +2 :               0.00012821844315
                6p
                   -1 :              -0.00003756854846
                   +0 :              -0.00000379037813
                   +1 :               0.00003323536044
                4f
                   -3 :               0.00040125728033
                   -2 :               0.00005222944870
                   -1 :               0.00021032058004
                   +0 :               0.00002910996144
                   +1 :               0.00001349838832
                   +2 :              -0.00030791070258
                   +3 :               0.00001741439719
             25 vec=    -7.146377    -10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :              -0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :              -0.00001839799174
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :               0.00000095645905
                   +0 :               0.00013075127907
                   +1 :              -0.00004871431986
                   +2 :              -0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :               0.00004654881293
                   +0 :              -0.00000417867534
                   +1 :               0.00004256903783
                   +2 :               0.00009508356365
                6p
                   -1 :              -0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :              -0.00006159638205
                4f
                   -3 :              -0.00033992812014
                   -2 :              -0.00004069815961
                   -1 :               0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :               0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :              -0.00004054917584
             26 vec=    -7.146377     10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :               0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :              -0.00001839799174
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :              -0.00000095645905
                   +0 :               0.00013075127907
                   +1 :              -0.00004871431986
                   +2 :              -0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :              -0.00004654881293
                   +0 :              -0.00000417867534
                   +1 :               0.00004256903783
                   +2 :               0.00009508356365
                6p
                   -1 :               0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :              -0.00006159638205
                4f
                   -3 :               0.00033992812014
                   -2 :               0.00004069815961
                   -1 :              -0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :               0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :              -0.00004054917584
             27 vec=     7.146377    -10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :              -0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :               0.00001839799174
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :               0.00000095645905
                   +0 :               0.00013075127907
                   +1 :               0.00004871431986
                   +2 :              -0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :               0.00004654881293
                   +0 :              -0.00000417867534
                   +1 :              -0.00004256903783
                   +2 :               0.00009508356365
                6p
                   -1 :              -0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :               0.00006159638205
                4f
                   -3 :              -0.00033992812014
                   -2 :               0.00004069815961
                   -1 :               0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :              -0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :               0.00004054917584
             28 vec=     7.146377     10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :               0.00000773365225
                   +0 :              -0.00002466693458
                   +1 :               0.00001839799174
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :              -0.00000095645905
                   +0 :               0.00013075127907
                   +1 :               0.00004871431986
                   +2 :              -0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :              -0.00004654881293
                   +0 :              -0.00000417867534
                   +1 :              -0.00004256903783
                   +2 :               0.00009508356365
                6p
                   -1 :               0.00002218002993
                   +0 :              -0.00005629104851
                   +1 :               0.00006159638205
                4f
                   -3 :               0.00033992812014
                   -2 :              -0.00004069815961
                   -1 :              -0.00003038952493
                   +0 :              -0.00007094263221
                   +1 :              -0.00013858895717
                   +2 :              -0.00027723232049
                   +3 :               0.00004054917584
             29 vec=     0.000000     -3.573189     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00006555531155
                5p
                   -1 :               0.00022300709583
                   +0 :              -0.00046058148214
                6s
                   +0 :              -0.00044923700156
                7s
                   +0 :               0.00000268796827
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00054960224376
                   +0 :               0.00051920995441
                   +1 :              -0.00000000000000
                   +2 :               0.00019874633765
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00003101413890
                   +0 :              -0.00017339373169
                   +1 :               0.00000000000000
                   +2 :              -0.00003357719129
                6p
                   -1 :               0.00002794847968
                   +0 :              -0.00008200015026
                4f
                   -3 :              -0.00021247948204
                   -2 :              -0.00000000000000
                   -1 :               0.00016902019222
                   +0 :              -0.00012571801370
                   +1 :               0.00000000000000
                   +2 :               0.00002515034958
                   +3 :              -0.00000000000000
             30 vec=     0.000000      3.573189     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00006555531155
                5p
                   -1 :              -0.00022300709583
                   +0 :              -0.00046058148214
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00044923700156
                7s
                   +0 :               0.00000268796827
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00054960224376
                   +0 :               0.00051920995441
                   +1 :               0.00000000000000
                   +2 :               0.00019874633765
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003101413890
                   +0 :              -0.00017339373169
                   +1 :               0.00000000000000
                   +2 :              -0.00003357719129
                6p
                   -1 :              -0.00002794847968
                   +0 :              -0.00008200015026
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00021247948204
                   -2 :               0.00000000000000
                   -1 :              -0.00016902019222
                   +0 :              -0.00012571801370
                   +1 :              -0.00000000000000
                   +2 :               0.00002515034958
                   +3 :               0.00000000000000
             31 vec=   -14.292755     -3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :              -0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :              -0.00007689382838
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :               0.00002139153256
                   +0 :               0.00011409890686
                   +1 :              -0.00021576977093
                   +2 :              -0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :               0.00003614696917
                   +0 :              -0.00003386527501
                   +1 :               0.00008234263744
                   +2 :               0.00017950261659
                6p
                   -1 :               0.00006795787151
                   +0 :               0.00003295719875
                   +1 :              -0.00005020106588
                4f
                   -3 :              -0.00009883957644
                   -2 :              -0.00002068703895
                   -1 :              -0.00006827076983
                   +0 :               0.00000755195469
                   +1 :               0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :              -0.00032146156183
             32 vec=   -14.292755      3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :               0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :              -0.00007689382838
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :              -0.00002139153256
                   +0 :               0.00011409890686
                   +1 :              -0.00021576977093
                   +2 :              -0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :              -0.00003614696917
                   +0 :              -0.00003386527501
                   +1 :               0.00008234263744
                   +2 :               0.00017950261659
                6p
                   -1 :              -0.00006795787151
                   +0 :               0.00003295719875
                   +1 :              -0.00005020106588
                4f
                   -3 :               0.00009883957644
                   -2 :               0.00002068703895
                   -1 :               0.00006827076983
                   +0 :               0.00000755195469
                   +1 :               0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :              -0.00032146156183
             33 vec=    14.292755     -3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :              -0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :               0.00007689382838
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :               0.00002139153256
                   +0 :               0.00011409890686
                   +1 :               0.00021576977093
                   +2 :              -0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :               0.00003614696917
                   +0 :              -0.00003386527501
                   +1 :              -0.00008234263744
                   +2 :               0.00017950261659
                6p
                   -1 :               0.00006795787151
                   +0 :               0.00003295719875
                   +1 :               0.00005020106588
                4f
                   -3 :              -0.00009883957644
                   -2 :               0.00002068703895
                   -1 :              -0.00006827076983
                   +0 :               0.00000755195469
                   +1 :              -0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :               0.00032146156183
             34 vec=    14.292755      3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :               0.00003458886620
                   +0 :              -0.00005213315304
                   +1 :               0.00007689382838
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :              -0.00002139153256
                   +0 :               0.00011409890686
                   +1 :               0.00021576977093
                   +2 :              -0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :              -0.00003614696917
                   +0 :              -0.00003386527501
                   +1 :              -0.00008234263744
                   +2 :               0.00017950261659
                6p
                   -1 :              -0.00006795787151
                   +0 :               0.00003295719875
                   +1 :               0.00005020106588
                4f
                   -3 :               0.00009883957644
                   -2 :              -0.00002068703895
                   -1 :               0.00006827076983
                   +0 :               0.00000755195469
                   +1 :              -0.00004450853652
                   +2 :              -0.00029116513285
                   +3 :               0.00032146156183
             35 vec=    -7.146377     -3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :               0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :               0.00011568892937
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :               0.00014190555534
                   +0 :              -0.00006187107935
                   +1 :              -0.00034077778033
                   +2 :               0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :              -0.00008203279828
                   +0 :               0.00010253598158
                   +1 :              -0.00001254759699
                   +2 :              -0.00006583903567
                6p
                   -1 :              -0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :               0.00001495187633
                4f
                   -3 :              -0.00007051555503
                   -2 :               0.00010507542416
                   -1 :              -0.00006073602824
                   +0 :               0.00009951932763
                   +1 :               0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :               0.00015893910375
             36 vec=    -7.146377      3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :              -0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :               0.00011568892937
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :              -0.00014190555534
                   +0 :              -0.00006187107935
                   +1 :              -0.00034077778033
                   +2 :               0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :               0.00008203279828
                   +0 :               0.00010253598158
                   +1 :              -0.00001254759699
                   +2 :              -0.00006583903567
                6p
                   -1 :               0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :               0.00001495187633
                4f
                   -3 :               0.00007051555503
                   -2 :              -0.00010507542416
                   -1 :               0.00006073602824
                   +0 :               0.00009951932763
                   +1 :               0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :               0.00015893910375
             37 vec=     7.146377     -3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :               0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :              -0.00011568892937
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :               0.00014190555534
                   +0 :              -0.00006187107935
                   +1 :               0.00034077778033
                   +2 :               0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :              -0.00008203279828
                   +0 :               0.00010253598158
                   +1 :               0.00001254759699
                   +2 :              -0.00006583903567
                6p
                   -1 :              -0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :              -0.00001495187633
                4f
                   -3 :              -0.00007051555503
                   -2 :              -0.00010507542416
                   -1 :              -0.00006073602824
                   +0 :               0.00009951932763
                   +1 :              -0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :              -0.00015893910375
             38 vec=     7.146377      3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :              -0.00003807059968
                   +0 :              -0.00011075422668
                   +1 :              -0.00011568892937
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :              -0.00014190555534
                   +0 :              -0.00006187107935
                   +1 :               0.00034077778033
                   +2 :               0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :               0.00008203279828
                   +0 :               0.00010253598158
                   +1 :               0.00001254759699
                   +2 :              -0.00006583903567
                6p
                   -1 :               0.00003545439264
                   +0 :              -0.00005739698462
                   +1 :              -0.00001495187633
                4f
                   -3 :               0.00007051555503
                   -2 :               0.00010507542416
                   -1 :               0.00006073602824
                   +0 :               0.00009951932763
                   +1 :              -0.00011551977224
                   +2 :              -0.00026405371351
                   +3 :              -0.00015893910375
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site Cu(  3)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                3p
                   -1 :               0.00000000000000
                   +0 :               0.01530253422894
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.04229786675063
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00889553580256
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.04161773315159
                   +1 :               0.00000000000000
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                3p
                   -1 :               0.00000000000000
                   +0 :               0.01530253422894
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.04229786675063
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00889553580256
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.04161773315159
                   +1 :              -0.00000000000000
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00133800432514
                   +0 :               0.00000000000000
                   +1 :               0.00200970294763
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002051543871
                   +1 :               0.00025121245453
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :               0.00000000000000
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00133800432514
                   +0 :               0.00000000000000
                   +1 :               0.00200970294763
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00002051543871
                   +0 :              -0.00000000000000
                   +1 :               0.00025121245453
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :               0.00000000000000
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00133800432514
                   +0 :              -0.00000000000000
                   +1 :              -0.00200970294763
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00002051543871
                   +0 :              -0.00000000000000
                   +1 :              -0.00025121245453
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :               0.00000000000000
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00133800432514
                   +0 :               0.00000000000000
                   +1 :              -0.00200970294763
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00002051543871
                   +0 :              -0.00000000000000
                   +1 :              -0.00025121245453
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :               0.00000000000000
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007650431587
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00144777515375
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00038681855075
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00212270930778
                   +1 :              -0.00000000000000
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007650431587
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00144777515375
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00038681855075
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00212270930778
                   +1 :              -0.00000000000000
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00000000000000
                3p
                   +0 :              -0.00003014102700
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007121204027
                   +0 :               0.00000000000000
                   +1 :              -0.00040076681599
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000780964672
                   +0 :               0.00000000000000
                   +1 :               0.00001066992263
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00011074147574
                   +1 :              -0.00000000000000
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00003014102700
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007121204027
                   +1 :              -0.00040076681599
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000780964672
                   +1 :               0.00001066992263
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00011074147574
                   +1 :              -0.00000000000000
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00003014102700
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007121204027
                   +1 :               0.00040076681599
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000780964672
                   +1 :              -0.00001066992263
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00011074147574
                   +1 :              -0.00000000000000
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                3p
                   +0 :              -0.00003014102700
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007121204027
                   +0 :               0.00000000000000
                   +1 :               0.00040076681599
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000780964672
                   +0 :               0.00000000000000
                   +1 :              -0.00001066992263
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00011074147574
                   +1 :              -0.00000000000000
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00089324859761
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00020230904893
                   +1 :               0.00007040664670
                4s
                   +0 :               0.00420884371221
                5s
                   +0 :              -0.00054753582933
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00055943173047
                   +1 :               0.00047495366855
                   +2 :               0.00013417339522
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00009038045813
                   +1 :               0.00012821364734
                   +2 :               0.00003469602360
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00156953805325
                   +1 :              -0.00058587857524
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00089324859761
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00020230904893
                   +1 :              -0.00007040664670
                4s
                   +0 :              -0.00420884371221
                5s
                   +0 :               0.00054753582933
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00055943173047
                   +1 :               0.00047495366855
                   +2 :              -0.00013417339522
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00009038045813
                   +1 :               0.00012821364734
                   +2 :              -0.00003469602360
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00156953805325
                   +1 :               0.00058587857524
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00089324859761
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00020230904893
                   +1 :              -0.00007040664670
                4s
                   +0 :               0.00420884371221
                5s
                   +0 :              -0.00054753582933
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00055943173047
                   +1 :              -0.00047495366855
                   +2 :               0.00013417339522
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00009038045813
                   +1 :              -0.00012821364734
                   +2 :               0.00003469602360
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00156953805325
                   +1 :               0.00058587857524
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00089324859761
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00020230904893
                   +1 :               0.00007040664670
                4s
                   +0 :              -0.00420884371221
                5s
                   +0 :               0.00054753582933
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00055943173047
                   +1 :              -0.00047495366855
                   +2 :              -0.00013417339522
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00009038045813
                   +1 :              -0.00012821364734
                   +2 :              -0.00003469602360
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00156953805325
                   +1 :              -0.00058587857524
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001892197346
                   +1 :              -0.00016004765830
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000619191951
                   +0 :              -0.00000000000000
                   +1 :               0.00005040508917
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00007388664394
                   +1 :               0.00000000000000
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -1 :               0.00001892197346
                   +0 :              -0.00000000000000
                   +1 :              -0.00016004765830
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000619191951
                   +0 :               0.00000000000000
                   +1 :               0.00005040508917
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00007388664394
                   +1 :              -0.00000000000000
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -1 :              -0.00001892197346
                   +1 :               0.00016004765830
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000619191951
                   +0 :              -0.00000000000000
                   +1 :              -0.00005040508917
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00007388664394
                   +1 :              -0.00000000000000
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007619786242
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001892197346
                   +1 :               0.00016004765830
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000619191951
                   +1 :              -0.00005040508917
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00007388664394
                   +1 :               0.00000000000000
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :              -0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :              -0.00005528802779
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :              -0.00009241419255
                   +0 :               0.00012778126547
                   +1 :              -0.00003347830830
                   +2 :              -0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :              -0.00003662412378
                   +0 :               0.00000855264036
                   +1 :              -0.00001706420904
                   +2 :              -0.00001251073334
                4p
                   -1 :               0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :               0.00006863156023
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :               0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :               0.00005528802779
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :              -0.00009241419255
                   +0 :              -0.00012778126547
                   +1 :              -0.00003347830830
                   +2 :               0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :              -0.00003662412378
                   +0 :              -0.00000855264036
                   +1 :              -0.00001706420904
                   +2 :               0.00001251073334
                4p
                   -1 :              -0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :              -0.00006863156023
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :               0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :              -0.00005528802779
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :               0.00009241419255
                   +0 :               0.00012778126547
                   +1 :              -0.00003347830830
                   +2 :              -0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :               0.00003662412378
                   +0 :               0.00000855264036
                   +1 :              -0.00001706420904
                   +2 :              -0.00001251073334
                4p
                   -1 :              -0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :               0.00006863156023
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :              -0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :               0.00005528802779
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :               0.00009241419255
                   +0 :              -0.00012778126547
                   +1 :              -0.00003347830830
                   +2 :               0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :               0.00003662412378
                   +0 :              -0.00000855264036
                   +1 :              -0.00001706420904
                   +2 :               0.00001251073334
                4p
                   -1 :               0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :              -0.00006863156023
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :              -0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :               0.00005528802779
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :              -0.00009241419255
                   +0 :               0.00012778126547
                   +1 :               0.00003347830830
                   +2 :              -0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :              -0.00003662412378
                   +0 :               0.00000855264036
                   +1 :               0.00001706420904
                   +2 :              -0.00001251073334
                4p
                   -1 :               0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :              -0.00006863156023
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :               0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :              -0.00005528802779
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :              -0.00009241419255
                   +0 :              -0.00012778126547
                   +1 :               0.00003347830830
                   +2 :               0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :              -0.00003662412378
                   +0 :              -0.00000855264036
                   +1 :               0.00001706420904
                   +2 :               0.00001251073334
                4p
                   -1 :              -0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :               0.00006863156023
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :               0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :               0.00005528802779
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :               0.00009241419255
                   +0 :               0.00012778126547
                   +1 :               0.00003347830830
                   +2 :              -0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :               0.00003662412378
                   +0 :               0.00000855264036
                   +1 :               0.00001706420904
                   +2 :              -0.00001251073334
                4p
                   -1 :              -0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :              -0.00006863156023
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :              -0.00007933901942
                   +0 :              -0.00002249786724
                   +1 :              -0.00005528802779
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :               0.00009241419255
                   +0 :              -0.00012778126547
                   +1 :               0.00003347830830
                   +2 :               0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :               0.00003662412378
                   +0 :              -0.00000855264036
                   +1 :               0.00001706420904
                   +2 :               0.00001251073334
                4p
                   -1 :               0.00007786720725
                   +0 :              -0.00000297690712
                   +1 :               0.00006863156023
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00010422638670
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00003051521662
                   +1 :              -0.00001372791162
                4s
                   +0 :               0.00061466888939
                5s
                   +0 :              -0.00019324641713
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00004931150265
                   +1 :               0.00007974417646
                   +2 :               0.00002375436394
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000605724715
                   +1 :               0.00003426438719
                   +2 :              -0.00002894570796
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00014843304905
                   +1 :              -0.00008372008865
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00010422638670
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00003051521662
                   +1 :               0.00001372791162
                4s
                   +0 :              -0.00061466888939
                5s
                   +0 :               0.00019324641713
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00004931150265
                   +1 :               0.00007974417646
                   +2 :              -0.00002375436394
                4d
                   -2 :              -0.00000000000000
                   +0 :               0.00000605724715
                   +1 :               0.00003426438719
                   +2 :               0.00002894570796
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00014843304905
                   +1 :               0.00008372008865
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00010422638670
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00003051521662
                   +1 :               0.00001372791162
                4s
                   +0 :               0.00061466888939
                5s
                   +0 :              -0.00019324641713
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00004931150265
                   +1 :              -0.00007974417646
                   +2 :               0.00002375436394
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000605724715
                   +1 :              -0.00003426438719
                   +2 :              -0.00002894570796
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00014843304905
                   +1 :               0.00008372008865
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00010422638670
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00003051521662
                   +1 :              -0.00001372791162
                4s
                   +0 :              -0.00061466888939
                5s
                   +0 :               0.00019324641713
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00004931150265
                   +1 :              -0.00007974417646
                   +2 :              -0.00002375436394
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000605724715
                   +1 :              -0.00003426438719
                   +2 :               0.00002894570796
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00014843304905
                   +1 :              -0.00008372008865
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00014754462549
                   +0 :               0.00000000000000
                   +1 :              -0.00012375432276
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001503515166
                   +0 :              -0.00000000000000
                   +1 :              -0.00000605411954
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011120134108
                   +1 :              -0.00000000000000
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00014754462549
                   +1 :              -0.00012375432276
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001503515166
                   +0 :              -0.00000000000000
                   +1 :              -0.00000605411954
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011120134108
                   +1 :              -0.00000000000000
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000646697375
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00014035370653
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000394125306
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00012644794561
                   +1 :               0.00000000000000
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000646697375
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00014035370653
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000394125306
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00012644794561
                   +1 :               0.00000000000000
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00014754462549
                   +0 :              -0.00000000000000
                   +1 :               0.00012375432276
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001503515166
                   +0 :              -0.00000000000000
                   +1 :               0.00000605411954
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011120134108
                   +1 :              -0.00000000000000
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00014754462549
                   +0 :               0.00000000000000
                   +1 :               0.00012375432276
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001503515166
                   +0 :               0.00000000000000
                   +1 :               0.00000605411954
                   +2 :               0.00000000000000
                4p
                   +0 :               0.00011120134108
                   +1 :              -0.00000000000000
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :               0.00001365477646
                   +0 :               0.00002266874450
                   +1 :              -0.00000133252098
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :              -0.00007448816223
                   +0 :              -0.00006103245560
                   +1 :              -0.00005175198090
                   +2 :               0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :              -0.00004275347678
                   +0 :              -0.00000643357051
                   +1 :              -0.00002286804534
                   +2 :               0.00000262417820
                4p
                   -1 :               0.00002892527513
                   +0 :               0.00002523535291
                   +1 :               0.00004889203564
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :              -0.00001365477646
                   +0 :               0.00002266874450
                   +1 :               0.00000133252098
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :              -0.00007448816223
                   +0 :               0.00006103245560
                   +1 :              -0.00005175198090
                   +2 :              -0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :              -0.00004275347678
                   +0 :               0.00000643357051
                   +1 :              -0.00002286804534
                   +2 :              -0.00000262417820
                4p
                   -1 :              -0.00002892527513
                   +0 :               0.00002523535291
                   +1 :              -0.00004889203564
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :              -0.00001365477646
                   +0 :               0.00002266874450
                   +1 :              -0.00000133252098
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :               0.00007448816223
                   +0 :              -0.00006103245560
                   +1 :              -0.00005175198090
                   +2 :               0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :               0.00004275347678
                   +0 :              -0.00000643357051
                   +1 :              -0.00002286804534
                   +2 :               0.00000262417820
                4p
                   -1 :              -0.00002892527513
                   +0 :               0.00002523535291
                   +1 :               0.00004889203564
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :               0.00001365477646
                   +0 :               0.00002266874450
                   +1 :               0.00000133252098
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :               0.00007448816223
                   +0 :               0.00006103245560
                   +1 :              -0.00005175198090
                   +2 :              -0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :               0.00004275347678
                   +0 :               0.00000643357051
                   +1 :              -0.00002286804534
                   +2 :              -0.00000262417820
                4p
                   -1 :               0.00002892527513
                   +0 :               0.00002523535291
                   +1 :              -0.00004889203564
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :               0.00001365477646
                   +0 :               0.00002266874450
                   +1 :               0.00000133252098
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :              -0.00007448816223
                   +0 :              -0.00006103245560
                   +1 :               0.00005175198090
                   +2 :               0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :              -0.00004275347678
                   +0 :              -0.00000643357051
                   +1 :               0.00002286804534
                   +2 :               0.00000262417820
                4p
                   -1 :               0.00002892527513
                   +0 :               0.00002523535291
                   +1 :              -0.00004889203564
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :              -0.00001365477646
                   +0 :               0.00002266874450
                   +1 :              -0.00000133252098
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :              -0.00007448816223
                   +0 :               0.00006103245560
                   +1 :               0.00005175198090
                   +2 :              -0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :              -0.00004275347678
                   +0 :               0.00000643357051
                   +1 :               0.00002286804534
                   +2 :              -0.00000262417820
                4p
                   -1 :              -0.00002892527513
                   +0 :               0.00002523535291
                   +1 :               0.00004889203564
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :              -0.00001365477646
                   +0 :               0.00002266874450
                   +1 :               0.00000133252098
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :               0.00007448816223
                   +0 :              -0.00006103245560
                   +1 :               0.00005175198090
                   +2 :               0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :               0.00004275347678
                   +0 :              -0.00000643357051
                   +1 :               0.00002286804534
                   +2 :               0.00000262417820
                4p
                   -1 :              -0.00002892527513
                   +0 :               0.00002523535291
                   +1 :              -0.00004889203564
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :               0.00001365477646
                   +0 :               0.00002266874450
                   +1 :              -0.00000133252098
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :               0.00007448816223
                   +0 :               0.00006103245560
                   +1 :               0.00005175198090
                   +2 :              -0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :               0.00004275347678
                   +0 :               0.00000643357051
                   +1 :               0.00002286804534
                   +2 :              -0.00000262417820
                4p
                   -1 :               0.00002892527513
                   +0 :               0.00002523535291
                   +1 :               0.00004889203564
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site O (  4)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.91889733832747
                   +1 :               0.00000000000000
                3p
                   +0 :              -0.07773840397798
                   +1 :              -0.00000000000000
                3d
                   +2 :               0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00154521356281
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00104698539804
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00011077506619
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00671396473055
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00074055076113
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00138771895768
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00671396473055
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00074055076113
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00138771895768
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00154521356281
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00104698539804
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011077506619
                   +2 :              -0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00096676720248
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00051730523592
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000921887560
                   +0 :              -0.00000000000000
                   +1 :              -0.00008733428356
                   +2 :              -0.00000000000000
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00096676720248
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00051730523592
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000921887560
                   +0 :               0.00000000000000
                   +1 :              -0.00008733428356
                   +2 :              -0.00000000000000
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00096676720248
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00051730523592
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000921887560
                   +0 :               0.00000000000000
                   +1 :               0.00008733428356
                   +2 :               0.00000000000000
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00096676720248
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00051730523592
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000921887560
                   +0 :              -0.00000000000000
                   +1 :               0.00008733428356
                   +2 :               0.00000000000000
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :               0.00115759129075
                   +0 :               0.00079591545660
                   +1 :               0.00083052947426
                3p
                   -1 :              -0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :              -0.00001630206495
                3d
                   -2 :               0.00002972942149
                   -1 :              -0.00002152700556
                   +0 :              -0.00000135031343
                   +1 :              -0.00005024025763
                   +2 :              -0.00000994512531
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :              -0.00115759129075
                   +0 :               0.00079591545660
                   +1 :              -0.00083052947426
                3p
                   -1 :               0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :               0.00001630206495
                3d
                   -2 :              -0.00002972942149
                   -1 :              -0.00002152700556
                   +0 :               0.00000135031343
                   +1 :              -0.00005024025763
                   +2 :               0.00000994512531
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :              -0.00115759129075
                   +0 :               0.00079591545660
                   +1 :               0.00083052947426
                3p
                   -1 :               0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :              -0.00001630206495
                3d
                   -2 :              -0.00002972942149
                   -1 :               0.00002152700556
                   +0 :              -0.00000135031343
                   +1 :              -0.00005024025763
                   +2 :              -0.00000994512531
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :               0.00115759129075
                   +0 :               0.00079591545660
                   +1 :              -0.00083052947426
                3p
                   -1 :              -0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :               0.00001630206495
                3d
                   -2 :               0.00002972942149
                   -1 :               0.00002152700556
                   +0 :               0.00000135031343
                   +1 :              -0.00005024025763
                   +2 :               0.00000994512531
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :               0.00115759129075
                   +0 :               0.00079591545660
                   +1 :              -0.00083052947426
                3p
                   -1 :              -0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :               0.00001630206495
                3d
                   -2 :              -0.00002972942149
                   -1 :              -0.00002152700556
                   +0 :              -0.00000135031343
                   +1 :               0.00005024025763
                   +2 :              -0.00000994512531
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :              -0.00115759129075
                   +0 :               0.00079591545660
                   +1 :               0.00083052947426
                3p
                   -1 :               0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :              -0.00001630206495
                3d
                   -2 :               0.00002972942149
                   -1 :              -0.00002152700556
                   +0 :               0.00000135031343
                   +1 :               0.00005024025763
                   +2 :               0.00000994512531
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :              -0.00115759129075
                   +0 :               0.00079591545660
                   +1 :              -0.00083052947426
                3p
                   -1 :               0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :               0.00001630206495
                3d
                   -2 :               0.00002972942149
                   -1 :               0.00002152700556
                   +0 :              -0.00000135031343
                   +1 :               0.00005024025763
                   +2 :              -0.00000994512531
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :               0.00115759129075
                   +0 :               0.00079591545660
                   +1 :               0.00083052947426
                3p
                   -1 :              -0.00053530353635
                   +0 :              -0.00004756691135
                   +1 :              -0.00001630206495
                3d
                   -2 :              -0.00002972942149
                   -1 :               0.00002152700556
                   +0 :               0.00000135031343
                   +1 :               0.00005024025763
                   +2 :               0.00000994512531
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00106358271555
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00081228889670
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00014011228741
                   +2 :              -0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00054944942309
                   +1 :              -0.00000000000000
                3p
                   +0 :              -0.00014276360153
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00003911351069
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00054944942309
                   +1 :              -0.00000000000000
                3p
                   +0 :              -0.00014276360153
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00003911351069
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00106358271555
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00081228889670
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00014011228741
                   +2 :               0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00026331123782
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000959859720
                   +0 :               0.00000000000000
                   +1 :              -0.00003080280781
                   +2 :               0.00000000000000
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00026331123782
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000959859720
                   +0 :              -0.00000000000000
                   +1 :              -0.00003080280781
                   +2 :               0.00000000000000
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00017694302142
                   +1 :              -0.00000000000000
                3p
                   +0 :              -0.00006540370525
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000330504933
                   +1 :               0.00000666715430
                   +2 :              -0.00000000000000
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00017694302142
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000330504933
                   +0 :              -0.00000000000000
                   +1 :               0.00000666715430
                   +2 :               0.00000000000000
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00017694302142
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000330504933
                   +0 :              -0.00000000000000
                   +1 :              -0.00000666715430
                   +2 :              -0.00000000000000
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00017694302142
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000330504933
                   +0 :               0.00000000000000
                   +1 :              -0.00000666715430
                   +2 :               0.00000000000000
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00026331123782
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000959859720
                   +0 :               0.00000000000000
                   +1 :               0.00003080280781
                   +2 :              -0.00000000000000
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00026331123782
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000959859720
                   +1 :               0.00003080280781
                   +2 :              -0.00000000000000
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :               0.00022774845280
                   +0 :               0.00032136896192
                   +1 :               0.00028160887632
                3p
                   -1 :              -0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :              -0.00024026960086
                3d
                   -2 :              -0.00001562655095
                   -1 :              -0.00001699538141
                   +0 :              -0.00000966992394
                   +1 :               0.00004695228370
                   +2 :               0.00003042637646
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :              -0.00022774845280
                   +0 :               0.00032136896192
                   +1 :              -0.00028160887632
                3p
                   -1 :               0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :               0.00024026960086
                3d
                   -2 :               0.00001562655095
                   -1 :              -0.00001699538141
                   +0 :               0.00000966992394
                   +1 :               0.00004695228370
                   +2 :              -0.00003042637646
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :              -0.00022774845280
                   +0 :               0.00032136896192
                   +1 :               0.00028160887632
                3p
                   -1 :               0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :              -0.00024026960086
                3d
                   -2 :               0.00001562655095
                   -1 :               0.00001699538141
                   +0 :              -0.00000966992394
                   +1 :               0.00004695228370
                   +2 :               0.00003042637646
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :               0.00022774845280
                   +0 :               0.00032136896192
                   +1 :              -0.00028160887632
                3p
                   -1 :              -0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :               0.00024026960086
                3d
                   -2 :              -0.00001562655095
                   -1 :               0.00001699538141
                   +0 :               0.00000966992394
                   +1 :               0.00004695228370
                   +2 :              -0.00003042637646
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :               0.00012228304406
                   +0 :               0.00028811229935
                   +1 :               0.00003040093364
                3p
                   -1 :               0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :              -0.00001496123796
                3d
                   -2 :              -0.00001599868671
                   -1 :              -0.00000851331001
                   +0 :              -0.00000884296530
                   +1 :              -0.00000225877683
                   +2 :               0.00001060042739
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :              -0.00012228304406
                   +0 :               0.00028811229935
                   +1 :              -0.00003040093364
                3p
                   -1 :              -0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :               0.00001496123796
                3d
                   -2 :               0.00001599868671
                   -1 :              -0.00000851331001
                   +0 :               0.00000884296530
                   +1 :              -0.00000225877683
                   +2 :              -0.00001060042739
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :              -0.00012228304406
                   +0 :               0.00028811229935
                   +1 :               0.00003040093364
                3p
                   -1 :              -0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :              -0.00001496123796
                3d
                   -2 :               0.00001599868671
                   -1 :               0.00000851331001
                   +0 :              -0.00000884296530
                   +1 :              -0.00000225877683
                   +2 :               0.00001060042739
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :               0.00012228304406
                   +0 :               0.00028811229935
                   +1 :              -0.00003040093364
                3p
                   -1 :               0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :               0.00001496123796
                3d
                   -2 :              -0.00001599868671
                   -1 :               0.00000851331001
                   +0 :               0.00000884296530
                   +1 :              -0.00000225877683
                   +2 :              -0.00001060042739
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :               0.00012228304406
                   +0 :               0.00028811229935
                   +1 :              -0.00003040093364
                3p
                   -1 :               0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :               0.00001496123796
                3d
                   -2 :               0.00001599868671
                   -1 :              -0.00000851331001
                   +0 :              -0.00000884296530
                   +1 :               0.00000225877683
                   +2 :               0.00001060042739
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :              -0.00012228304406
                   +0 :               0.00028811229935
                   +1 :               0.00003040093364
                3p
                   -1 :              -0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :              -0.00001496123796
                3d
                   -2 :              -0.00001599868671
                   -1 :              -0.00000851331001
                   +0 :               0.00000884296530
                   +1 :               0.00000225877683
                   +2 :              -0.00001060042739
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :              -0.00012228304406
                   +0 :               0.00028811229935
                   +1 :              -0.00003040093364
                3p
                   -1 :              -0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :               0.00001496123796
                3d
                   -2 :              -0.00001599868671
                   -1 :               0.00000851331001
                   +0 :              -0.00000884296530
                   +1 :               0.00000225877683
                   +2 :               0.00001060042739
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :               0.00012228304406
                   +0 :               0.00028811229935
                   +1 :               0.00003040093364
                3p
                   -1 :               0.00000297224076
                   +0 :              -0.00008719601380
                   +1 :              -0.00001496123796
                3d
                   -2 :               0.00001599868671
                   -1 :               0.00000851331001
                   +0 :               0.00000884296530
                   +1 :               0.00000225877683
                   +2 :              -0.00001060042739
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :               0.00022774845280
                   +0 :               0.00032136896192
                   +1 :              -0.00028160887632
                3p
                   -1 :              -0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :               0.00024026960086
                3d
                   -2 :               0.00001562655095
                   -1 :              -0.00001699538141
                   +0 :              -0.00000966992394
                   +1 :              -0.00004695228370
                   +2 :               0.00003042637646
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :              -0.00022774845280
                   +0 :               0.00032136896192
                   +1 :               0.00028160887632
                3p
                   -1 :               0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :              -0.00024026960086
                3d
                   -2 :              -0.00001562655095
                   -1 :              -0.00001699538141
                   +0 :               0.00000966992394
                   +1 :              -0.00004695228370
                   +2 :              -0.00003042637646
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :              -0.00022774845280
                   +0 :               0.00032136896192
                   +1 :              -0.00028160887632
                3p
                   -1 :               0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :               0.00024026960086
                3d
                   -2 :              -0.00001562655095
                   -1 :               0.00001699538141
                   +0 :              -0.00000966992394
                   +1 :              -0.00004695228370
                   +2 :               0.00003042637646
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :               0.00022774845280
                   +0 :               0.00032136896192
                   +1 :               0.00028160887632
                3p
                   -1 :              -0.00007587064338
                   +0 :              -0.00020608993671
                   +1 :              -0.00024026960086
                3d
                   -2 :               0.00001562655095
                   -1 :               0.00001699538141
                   +0 :               0.00000966992394
                   +1 :              -0.00004695228370
                   +2 :              -0.00003042637646
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site O (  5)  npairs=  34
              1 vec=    -3.573189     -3.573189      0.000000   |vec|=    5.053252
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00202997343056
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003387968399
                   +0 :              -0.00000000000000
                   +1 :               0.00077477631320
                   +2 :              -0.00000000000000
              2 vec=    -3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00202997343056
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003387968399
                   +0 :              -0.00000000000000
                   +1 :               0.00077477631320
                   +2 :              -0.00000000000000
              3 vec=     3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00202997343056
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003387968399
                   +0 :              -0.00000000000000
                   +1 :              -0.00077477631320
                   +2 :               0.00000000000000
              4 vec=     3.573189      3.573189      0.000000   |vec|=    5.053252
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00202997343056
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003387968399
                   +0 :              -0.00000000000000
                   +1 :              -0.00077477631320
                   +2 :               0.00000000000000
              5 vec=   -10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012081729978
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008591585996
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001297801903
                   +0 :               0.00000000000000
                   +1 :              -0.00001133088276
                   +2 :              -0.00000000000000
              6 vec=   -10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00012081729978
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00008591585996
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001297801903
                   +0 :              -0.00000000000000
                   +1 :              -0.00001133088276
                   +2 :              -0.00000000000000
              7 vec=    -3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00066522771231
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00002099391639
                   +0 :              -0.00000000000000
                   +1 :              -0.00003346921788
                   +2 :               0.00000000000000
              8 vec=    -3.573189     10.719566      0.000000   |vec|=   11.299415
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00066522771231
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00002099391639
                   +1 :              -0.00003346921788
                   +2 :               0.00000000000000
              9 vec=     3.573189    -10.719566      0.000000   |vec|=   11.299415
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00066522771231
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00002099391639
                   +0 :               0.00000000000000
                   +1 :               0.00003346921788
                   +2 :              -0.00000000000000
             10 vec=     3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00066522771231
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00002099391639
                   +1 :               0.00003346921788
                   +2 :              -0.00000000000000
             11 vec=    10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00012081729978
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00008591585996
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001297801903
                   +0 :               0.00000000000000
                   +1 :               0.00001133088276
                   +2 :               0.00000000000000
             12 vec=    10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012081729978
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008591585996
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001297801903
                   +1 :               0.00001133088276
                   +2 :               0.00000000000000
             13 vec=     0.000000      0.000000    -12.518207   |vec|=   12.518207
                1s
                   +0 :               0.00040748302601
                2s
                   +0 :              -0.00453294741393
                3s
                   +0 :               0.00157480805375
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00323259021048
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00080779954041
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001901410078
                   +1 :               0.00000000000000
                   +2 :              -0.00001851164511
             14 vec=     0.000000      0.000000     12.518207   |vec|=   12.518207
                1s
                   +0 :              -0.00040748302601
                2s
                   +0 :               0.00453294741393
                3s
                   +0 :              -0.00157480805375
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00323259021048
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00080779954041
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001901410078
                   +1 :              -0.00000000000000
                   +2 :               0.00001851164511
             15 vec=    -7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00010470918454
                2s
                   +0 :              -0.00053191922937
                3s
                   +0 :               0.00027628971795
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00010304689590
                   +1 :               0.00031108989481
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00016612731735
                   +1 :              -0.00027198130813
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003176384484
                   +1 :              -0.00000594971022
                   +2 :               0.00001486611481
             16 vec=    -7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00010470918454
                2s
                   +0 :               0.00053191922937
                3s
                   +0 :              -0.00027628971795
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00010304689590
                   +1 :              -0.00031108989481
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00016612731735
                   +1 :               0.00027198130813
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00003176384484
                   +1 :              -0.00000594971022
                   +2 :              -0.00001486611481
             17 vec=    -0.000000     -7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00001248912787
                2s
                   +0 :               0.00043192957402
                3s
                   +0 :              -0.00036142457005
                2p
                   -1 :               0.00013004474429
                   +0 :              -0.00064545828202
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00048885725875
                   +0 :               0.00046071220714
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00010226613421
                   +0 :               0.00004039766032
                   +1 :              -0.00000000000000
                   +2 :               0.00007428481218
             18 vec=     0.000000     -7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00001248912787
                2s
                   +0 :              -0.00043192957402
                3s
                   +0 :               0.00036142457005
                2p
                   -1 :              -0.00013004474429
                   +0 :              -0.00064545828202
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00048885725875
                   +0 :               0.00046071220714
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00010226613421
                   +0 :              -0.00004039766032
                   +1 :               0.00000000000000
                   +2 :              -0.00007428481218
             19 vec=     0.000000      7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00001248912787
                2s
                   +0 :               0.00043192957402
                3s
                   +0 :              -0.00036142457005
                2p
                   -1 :              -0.00013004474429
                   +0 :              -0.00064545828202
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00048885725875
                   +0 :               0.00046071220714
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00010226613421
                   +0 :               0.00004039766032
                   +1 :              -0.00000000000000
                   +2 :               0.00007428481218
             20 vec=     0.000000      7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00001248912787
                2s
                   +0 :              -0.00043192957402
                3s
                   +0 :               0.00036142457005
                2p
                   -1 :               0.00013004474429
                   +0 :              -0.00064545828202
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00048885725875
                   +0 :               0.00046071220714
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00010226613421
                   +0 :              -0.00004039766032
                   +1 :               0.00000000000000
                   +2 :              -0.00007428481218
             21 vec=     7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00010470918454
                2s
                   +0 :              -0.00053191922937
                3s
                   +0 :               0.00027628971795
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00010304689590
                   +1 :              -0.00031108989481
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00016612731735
                   +1 :               0.00027198130813
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003176384484
                   +1 :               0.00000594971022
                   +2 :               0.00001486611481
             22 vec=     7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00010470918454
                2s
                   +0 :               0.00053191922937
                3s
                   +0 :              -0.00027628971795
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00010304689590
                   +1 :               0.00031108989481
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00016612731735
                   +1 :              -0.00027198130813
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00003176384484
                   +1 :               0.00000594971022
                   +2 :              -0.00001486611481
             23 vec=   -10.719566    -10.719566      0.000000   |vec|=   15.159756
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003336686180
                   +0 :              -0.00000000000000
                   +1 :              -0.00000243283308
             24 vec=   -10.719566     10.719566      0.000000   |vec|=   15.159756
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003336686180
                   +0 :               0.00000000000000
                   +1 :              -0.00000243283308
                   +2 :               0.00000000000000
             25 vec=    10.719566    -10.719566      0.000000   |vec|=   15.159756
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003336686180
                   +0 :              -0.00000000000000
                   +1 :               0.00000243283308
                   +2 :              -0.00000000000000
             26 vec=    10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003336686180
                   +0 :               0.00000000000000
                   +1 :               0.00000243283308
             27 vec=    -7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :               0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :               0.00044223444587
                3p
                   -1 :              -0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :              -0.00010267393806
                3d
                   -2 :              -0.00001180453407
                   -1 :               0.00008801957997
                   +0 :               0.00003457440121
                   +1 :              -0.00000944869977
                   +2 :              -0.00004778832028
             28 vec=    -7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :              -0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :              -0.00044223444587
                3p
                   -1 :               0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :               0.00010267393806
                3d
                   -2 :               0.00001180453407
                   -1 :               0.00008801957997
                   +0 :              -0.00003457440121
                   +1 :              -0.00000944869977
                   +2 :               0.00004778832028
             29 vec=    -7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :              -0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :               0.00044223444587
                3p
                   -1 :               0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :              -0.00010267393806
                3d
                   -2 :               0.00001180453407
                   -1 :              -0.00008801957997
                   +0 :               0.00003457440121
                   +1 :              -0.00000944869977
                   +2 :              -0.00004778832028
             30 vec=    -7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :               0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :              -0.00044223444587
                3p
                   -1 :              -0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :               0.00010267393806
                3d
                   -2 :              -0.00001180453407
                   -1 :              -0.00008801957997
                   +0 :              -0.00003457440121
                   +1 :              -0.00000944869977
                   +2 :               0.00004778832028
             31 vec=     7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :               0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :              -0.00044223444587
                3p
                   -1 :              -0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :               0.00010267393806
                3d
                   -2 :               0.00001180453407
                   -1 :               0.00008801957997
                   +0 :               0.00003457440121
                   +1 :               0.00000944869977
                   +2 :              -0.00004778832028
             32 vec=     7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :              -0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :               0.00044223444587
                3p
                   -1 :               0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :              -0.00010267393806
                3d
                   -2 :              -0.00001180453407
                   -1 :               0.00008801957997
                   +0 :              -0.00003457440121
                   +1 :               0.00000944869977
                   +2 :               0.00004778832028
             33 vec=     7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :              -0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :              -0.00044223444587
                3p
                   -1 :               0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :               0.00010267393806
                3d
                   -2 :              -0.00001180453407
                   -1 :              -0.00008801957997
                   +0 :               0.00003457440121
                   +1 :               0.00000944869977
                   +2 :              -0.00004778832028
             34 vec=     7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :               0.00025020016292
                   +0 :              -0.00007310416863
                   +1 :               0.00044223444587
                3p
                   -1 :              -0.00036450700029
                   +0 :              -0.00029394997035
                   +1 :              -0.00010267393806
                3d
                   -2 :               0.00001180453407
                   -1 :              -0.00008801957997
                   +0 :              -0.00003457440121
                   +1 :               0.00000944869977
                   +2 :               0.00004778832028
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site O (  6)  npairs=  34
              1 vec=     0.000000     -3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00087273319072
                2s
                   +0 :               0.02423575539235
                3s
                   +0 :              -0.00263281966186
                2p
                   -1 :              -0.01201622512820
                   +0 :               0.02758724619743
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00113256370997
                   +0 :              -0.00403827213242
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00128659509139
                   +0 :               0.00107979553953
                   +1 :               0.00000000000000
                   +2 :              -0.00105070692646
              2 vec=     0.000000      3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00087273319072
                2s
                   +0 :               0.02423575539235
                3s
                   +0 :              -0.00263281966186
                2p
                   -1 :               0.01201622512820
                   +0 :               0.02758724619743
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00113256370997
                   +0 :              -0.00403827213242
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00128659509139
                   +0 :               0.00107979553953
                   +1 :              -0.00000000000000
                   +2 :              -0.00105070692646
              3 vec=    -3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00009626937576
                2s
                   +0 :              -0.00714068926138
                3s
                   +0 :              -0.00106093382156
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00035871886348
                   +1 :              -0.01023827178527
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00210458450975
                   +1 :               0.00081577014541
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00074030295265
                   +1 :               0.00075113512862
                   +2 :               0.00007411064609
              4 vec=     3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00009626937576
                2s
                   +0 :              -0.00714068926138
                3s
                   +0 :              -0.00106093382156
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00035871886348
                   +1 :               0.01023827178527
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00210458450975
                   +1 :              -0.00081577014541
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00074030295265
                   +1 :              -0.00075113512862
                   +2 :               0.00007411064609
              5 vec=    -7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :              -0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :              -0.00132397662494
                3p
                   -1 :               0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :              -0.00004447861384
                3d
                   -2 :               0.00020971591511
                   -1 :               0.00000548806474
                   +0 :              -0.00028185536125
                   +1 :               0.00015596002666
                   +2 :              -0.00033173567007
              6 vec=    -7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :               0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :              -0.00132397662494
                3p
                   -1 :              -0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :              -0.00004447861384
                3d
                   -2 :              -0.00020971591511
                   -1 :              -0.00000548806474
                   +0 :              -0.00028185536125
                   +1 :               0.00015596002666
                   +2 :              -0.00033173567007
              7 vec=     7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :              -0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :               0.00132397662494
                3p
                   -1 :               0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :               0.00004447861384
                3d
                   -2 :              -0.00020971591511
                   -1 :               0.00000548806474
                   +0 :              -0.00028185536125
                   +1 :              -0.00015596002666
                   +2 :              -0.00033173567007
              8 vec=     7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :               0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :               0.00132397662494
                3p
                   -1 :              -0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :               0.00004447861384
                3d
                   -2 :               0.00020971591511
                   -1 :              -0.00000548806474
                   +0 :              -0.00028185536125
                   +1 :              -0.00015596002666
                   +2 :              -0.00033173567007
              9 vec=    -3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :               0.00001795228094
                   +0 :               0.00138671836137
                   +1 :               0.00062153580170
                3p
                   -1 :               0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :              -0.00012837569864
                3d
                   -2 :               0.00001955562462
                   -1 :              -0.00009127920306
                   +0 :               0.00006056270599
                   +1 :              -0.00005122518325
                   +2 :               0.00002387855051
             10 vec=    -3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :              -0.00001795228094
                   +0 :               0.00138671836137
                   +1 :               0.00062153580170
                3p
                   -1 :              -0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :              -0.00012837569864
                3d
                   -2 :              -0.00001955562462
                   -1 :               0.00009127920306
                   +0 :               0.00006056270599
                   +1 :              -0.00005122518325
                   +2 :               0.00002387855051
             11 vec=     3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :               0.00001795228094
                   +0 :               0.00138671836137
                   +1 :              -0.00062153580170
                3p
                   -1 :               0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :               0.00012837569864
                3d
                   -2 :              -0.00001955562462
                   -1 :              -0.00009127920306
                   +0 :               0.00006056270599
                   +1 :               0.00005122518325
                   +2 :               0.00002387855051
             12 vec=     3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :              -0.00001795228094
                   +0 :               0.00138671836137
                   +1 :              -0.00062153580170
                3p
                   -1 :              -0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :               0.00012837569864
                3d
                   -2 :               0.00001955562462
                   -1 :               0.00009127920306
                   +0 :               0.00006056270599
                   +1 :               0.00005122518325
                   +2 :               0.00002387855051
             13 vec=     0.000000    -10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00003848844276
                2s
                   +0 :              -0.00072347270115
                3s
                   +0 :               0.00002124781361
                2p
                   -1 :              -0.00012994774523
                   +0 :              -0.00138764389382
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00008418178875
                   +0 :               0.00023642374412
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00005318613529
                   +0 :              -0.00006527038890
                   +1 :              -0.00000000000000
                   +2 :               0.00005781480413
             14 vec=     0.000000     10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00003848844276
                2s
                   +0 :              -0.00072347270115
                3s
                   +0 :               0.00002124781361
                2p
                   -1 :               0.00012994774523
                   +0 :              -0.00138764389382
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00008418178875
                   +0 :               0.00023642374412
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00005318613529
                   +0 :              -0.00006527038890
                   +1 :               0.00000000000000
                   +2 :               0.00005781480413
             15 vec=   -10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00001754858957
                2s
                   +0 :              -0.00030908570649
                3s
                   +0 :               0.00032575654182
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00029491996686
                   +1 :               0.00053856221123
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00006663429990
                   +1 :              -0.00039801825994
                3d
                   -2 :               0.00000000000000
                   +0 :              -0.00000201046273
                   +1 :               0.00011529519383
                   +2 :               0.00011055173214
             16 vec=    10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00001754858957
                2s
                   +0 :              -0.00030908570649
                3s
                   +0 :               0.00032575654182
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00029491996686
                   +1 :              -0.00053856221123
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00006663429990
                   +1 :               0.00039801825994
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000201046273
                   +1 :              -0.00011529519383
                   +2 :               0.00011055173214
             17 vec=    -7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :              -0.00050158127350
                   +0 :               0.00010267058969
                   +1 :              -0.00051419125710
                3p
                   -1 :               0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :               0.00023728596463
                3d
                   -2 :              -0.00002249032849
                   -1 :               0.00001167726256
                   +0 :               0.00001327960203
                   +1 :              -0.00000217945841
                   +2 :               0.00002519493722
             18 vec=    -7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :               0.00050158127350
                   +0 :               0.00010267058969
                   +1 :              -0.00051419125710
                3p
                   -1 :              -0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :               0.00023728596463
                3d
                   -2 :               0.00002249032849
                   -1 :              -0.00001167726256
                   +0 :               0.00001327960203
                   +1 :              -0.00000217945841
                   +2 :               0.00002519493722
             19 vec=     7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :              -0.00050158127350
                   +0 :               0.00010267058969
                   +1 :               0.00051419125710
                3p
                   -1 :               0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :              -0.00023728596463
                3d
                   -2 :               0.00002249032849
                   -1 :               0.00001167726256
                   +0 :               0.00001327960203
                   +1 :               0.00000217945841
                   +2 :               0.00002519493722
             20 vec=     7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :               0.00050158127350
                   +0 :               0.00010267058969
                   +1 :               0.00051419125710
                3p
                   -1 :              -0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :              -0.00023728596463
                3d
                   -2 :              -0.00002249032849
                   -1 :              -0.00001167726256
                   +0 :               0.00001327960203
                   +1 :               0.00000217945841
                   +2 :               0.00002519493722
             21 vec=   -10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :               0.00030450348164
                   +0 :               0.00008299248186
                   +1 :               0.00017733884669
                3p
                   -1 :               0.00008974884566
                   +0 :               0.00007245282336
                   +1 :               0.00009549947912
                3d
                   -2 :              -0.00002996991131
                   -1 :              -0.00003150995257
                   +0 :               0.00003080635461
                   +1 :              -0.00003923870946
                   +2 :               0.00003644922519
             22 vec=   -10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :              -0.00030450348164
                   +0 :               0.00008299248186
                   +1 :               0.00017733884669
                3p
                   -1 :              -0.00008974884566
                   +0 :               0.00007245282336
                   +1 :               0.00009549947912
                3d
                   -2 :               0.00002996991131
                   -1 :               0.00003150995257
                   +0 :               0.00003080635461
                   +1 :              -0.00003923870946
                   +2 :               0.00003644922519
             23 vec=    10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :               0.00030450348164
                   +0 :               0.00008299248186
                   +1 :              -0.00017733884669
                3p
                   -1 :               0.00008974884566
                   +0 :               0.00007245282336
                   +1 :              -0.00009549947912
                3d
                   -2 :               0.00002996991131
                   -1 :              -0.00003150995257
                   +0 :               0.00003080635461
                   +1 :               0.00003923870946
                   +2 :               0.00003644922519
             24 vec=    10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :              -0.00030450348164
                   +0 :               0.00008299248186
                   +1 :              -0.00017733884669
                3p
                   -1 :              -0.00008974884566
                   +0 :               0.00007245282336
                   +1 :              -0.00009549947912
                3d
                   -2 :              -0.00002996991131
                   -1 :               0.00003150995257
                   +0 :               0.00003080635461
                   +1 :               0.00003923870946
                   +2 :               0.00003644922519
             25 vec=   -14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :              -0.00032637431182
                   +0 :               0.00012831596274
                   +1 :              -0.00022787175007
                3p
                   -1 :               0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :              -0.00004926866650
                3d
                   -2 :               0.00000636856708
                   -1 :               0.00000904654624
                   +0 :              -0.00000070824634
                   +1 :               0.00001364104619
                   +2 :               0.00005466227826
             26 vec=   -14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :               0.00032637431182
                   +0 :               0.00012831596274
                   +1 :              -0.00022787175007
                3p
                   -1 :              -0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :              -0.00004926866650
                3d
                   -2 :              -0.00000636856708
                   -1 :              -0.00000904654624
                   +0 :              -0.00000070824634
                   +1 :               0.00001364104619
                   +2 :               0.00005466227826
             27 vec=    14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :              -0.00032637431182
                   +0 :               0.00012831596274
                   +1 :               0.00022787175007
                3p
                   -1 :               0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :               0.00004926866650
                3d
                   -2 :              -0.00000636856708
                   -1 :               0.00000904654624
                   +0 :              -0.00000070824634
                   +1 :              -0.00001364104619
                   +2 :               0.00005466227826
             28 vec=    14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :               0.00032637431182
                   +0 :               0.00012831596274
                   +1 :               0.00022787175007
                3p
                   -1 :              -0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :               0.00004926866650
                3d
                   -2 :               0.00000636856708
                   -1 :              -0.00000904654624
                   +0 :              -0.00000070824634
                   +1 :              -0.00001364104619
                   +2 :               0.00005466227826
             29 vec=    -3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :               0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :              -0.00006949980839
                3p
                   -1 :              -0.00003953706382
                   +0 :               0.00004141629564
                   +1 :               0.00002202167244
                3d
                   -2 :              -0.00000382871223
                   -1 :               0.00000337100747
                   +0 :              -0.00000385744712
                   +1 :               0.00000222185616
                   +2 :               0.00001966727547
             30 vec=    -3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :              -0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :              -0.00006949980839
                3p
                   -1 :               0.00003953706382
                   +0 :               0.00004141629564
                   +1 :               0.00002202167244
                3d
                   -2 :               0.00000382871223
                   -1 :              -0.00000337100747
                   +0 :              -0.00000385744712
                   +1 :               0.00000222185616
                   +2 :               0.00001966727547
             31 vec=     3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :               0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :               0.00006949980839
                3p
                   -1 :              -0.00003953706382
                   +0 :               0.00004141629564
                   +1 :              -0.00002202167244
                3d
                   -2 :               0.00000382871223
                   -1 :               0.00000337100747
                   +0 :              -0.00000385744712
                   +1 :              -0.00000222185616
                   +2 :               0.00001966727547
             32 vec=     3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :              -0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :               0.00006949980839
                3p
                   -1 :               0.00003953706382
                   +0 :               0.00004141629564
                   +1 :              -0.00002202167244
                3d
                   -2 :              -0.00000382871223
                   -1 :              -0.00000337100747
                   +0 :              -0.00000385744712
                   +1 :              -0.00000222185616
                   +2 :               0.00001966727547
             33 vec=    -3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000114807011
                2s
                   +0 :               0.00003020064736
                3s
                   +0 :              -0.00006980460175
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00044134097471
                   +1 :              -0.00011066952566
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00031201570475
                   +1 :              -0.00002101434869
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002183082450
                   +1 :              -0.00000974487667
                   +2 :              -0.00000894562632
             34 vec=     3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000114807011
                2s
                   +0 :               0.00003020064736
                3s
                   +0 :              -0.00006980460175
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00044134097471
                   +1 :               0.00011066952566
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00031201570475
                   +1 :               0.00002101434869
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002183082450
                   +1 :               0.00000974487667
                   +2 :              -0.00000894562632
WF             site_B          number of pairs
WF(  7)=[O 2p0]  to site O (  7)  npairs=  34
              1 vec=     0.000000     -3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00087273319072
                2s
                   +0 :              -0.02423575539235
                3s
                   +0 :               0.00263281966186
                2p
                   -1 :               0.01201622512820
                   +0 :               0.02758724619743
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00113256370997
                   +0 :              -0.00403827213242
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00128659509139
                   +0 :              -0.00107979553953
                   +1 :               0.00000000000000
                   +2 :               0.00105070692646
              2 vec=     0.000000      3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00087273319072
                2s
                   +0 :              -0.02423575539235
                3s
                   +0 :               0.00263281966186
                2p
                   -1 :              -0.01201622512820
                   +0 :               0.02758724619743
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00113256370997
                   +0 :              -0.00403827213242
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00128659509139
                   +0 :              -0.00107979553953
                   +1 :              -0.00000000000000
                   +2 :               0.00105070692646
              3 vec=    -3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00009626937576
                2s
                   +0 :               0.00714068926138
                3s
                   +0 :               0.00106093382156
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00035871886348
                   +1 :               0.01023827178527
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00210458450975
                   +1 :              -0.00081577014541
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00074030295265
                   +1 :               0.00075113512862
                   +2 :              -0.00007411064609
              4 vec=     3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00009626937576
                2s
                   +0 :               0.00714068926138
                3s
                   +0 :               0.00106093382156
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00035871886348
                   +1 :              -0.01023827178527
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00210458450975
                   +1 :               0.00081577014541
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00074030295265
                   +1 :              -0.00075113512862
                   +2 :              -0.00007411064609
              5 vec=    -7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :               0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :               0.00132397662494
                3p
                   -1 :              -0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :               0.00004447861384
                3d
                   -2 :              -0.00020971591511
                   -1 :               0.00000548806474
                   +0 :               0.00028185536125
                   +1 :               0.00015596002666
                   +2 :               0.00033173567007
              6 vec=    -7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :              -0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :               0.00132397662494
                3p
                   -1 :               0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :               0.00004447861384
                3d
                   -2 :               0.00020971591511
                   -1 :              -0.00000548806474
                   +0 :               0.00028185536125
                   +1 :               0.00015596002666
                   +2 :               0.00033173567007
              7 vec=     7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :               0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :              -0.00132397662494
                3p
                   -1 :              -0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :              -0.00004447861384
                3d
                   -2 :               0.00020971591511
                   -1 :               0.00000548806474
                   +0 :               0.00028185536125
                   +1 :              -0.00015596002666
                   +2 :               0.00033173567007
              8 vec=     7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :              -0.00958341410359
                   +0 :              -0.00113542599600
                   +1 :              -0.00132397662494
                3p
                   -1 :               0.00122108466635
                   +0 :              -0.00030000189402
                   +1 :              -0.00004447861384
                3d
                   -2 :              -0.00020971591511
                   -1 :              -0.00000548806474
                   +0 :               0.00028185536125
                   +1 :              -0.00015596002666
                   +2 :               0.00033173567007
              9 vec=    -3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :              -0.00001795228094
                   +0 :               0.00138671836137
                   +1 :              -0.00062153580170
                3p
                   -1 :              -0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :               0.00012837569864
                3d
                   -2 :              -0.00001955562462
                   -1 :              -0.00009127920306
                   +0 :              -0.00006056270599
                   +1 :              -0.00005122518325
                   +2 :              -0.00002387855051
             10 vec=    -3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :               0.00001795228094
                   +0 :               0.00138671836137
                   +1 :              -0.00062153580170
                3p
                   -1 :               0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :               0.00012837569864
                3d
                   -2 :               0.00001955562462
                   -1 :               0.00009127920306
                   +0 :              -0.00006056270599
                   +1 :              -0.00005122518325
                   +2 :              -0.00002387855051
             11 vec=     3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :              -0.00001795228094
                   +0 :               0.00138671836137
                   +1 :               0.00062153580170
                3p
                   -1 :              -0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :              -0.00012837569864
                3d
                   -2 :               0.00001955562462
                   -1 :              -0.00009127920306
                   +0 :              -0.00006056270599
                   +1 :               0.00005122518325
                   +2 :              -0.00002387855051
             12 vec=     3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :               0.00001795228094
                   +0 :               0.00138671836137
                   +1 :               0.00062153580170
                3p
                   -1 :               0.00009798189411
                   +0 :              -0.00033527767205
                   +1 :              -0.00012837569864
                3d
                   -2 :              -0.00001955562462
                   -1 :               0.00009127920306
                   +0 :              -0.00006056270599
                   +1 :               0.00005122518325
                   +2 :              -0.00002387855051
             13 vec=     0.000000    -10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00003848844276
                2s
                   +0 :               0.00072347270115
                3s
                   +0 :              -0.00002124781361
                2p
                   -1 :               0.00012994774523
                   +0 :              -0.00138764389382
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00008418178875
                   +0 :               0.00023642374412
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00005318613529
                   +0 :               0.00006527038890
                   +1 :              -0.00000000000000
                   +2 :              -0.00005781480413
             14 vec=     0.000000     10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00003848844276
                2s
                   +0 :               0.00072347270115
                3s
                   +0 :              -0.00002124781361
                2p
                   -1 :              -0.00012994774523
                   +0 :              -0.00138764389382
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00008418178875
                   +0 :               0.00023642374412
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00005318613529
                   +0 :               0.00006527038890
                   +1 :               0.00000000000000
                   +2 :              -0.00005781480413
             15 vec=   -10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00001754858957
                2s
                   +0 :               0.00030908570649
                3s
                   +0 :              -0.00032575654182
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00029491996686
                   +1 :              -0.00053856221123
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00006663429990
                   +1 :               0.00039801825994
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000201046273
                   +1 :               0.00011529519383
                   +2 :              -0.00011055173214
             16 vec=    10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00001754858957
                2s
                   +0 :               0.00030908570649
                3s
                   +0 :              -0.00032575654182
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00029491996686
                   +1 :               0.00053856221123
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00006663429990
                   +1 :              -0.00039801825994
                3d
                   -2 :              -0.00000000000000
                   +0 :               0.00000201046273
                   +1 :              -0.00011529519383
                   +2 :              -0.00011055173214
             17 vec=    -7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :               0.00050158127350
                   +0 :               0.00010267058969
                   +1 :               0.00051419125710
                3p
                   -1 :              -0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :              -0.00023728596463
                3d
                   -2 :               0.00002249032849
                   -1 :               0.00001167726256
                   +0 :              -0.00001327960203
                   +1 :              -0.00000217945841
                   +2 :              -0.00002519493722
             18 vec=    -7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :              -0.00050158127350
                   +0 :               0.00010267058969
                   +1 :               0.00051419125710
                3p
                   -1 :               0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :              -0.00023728596463
                3d
                   -2 :              -0.00002249032849
                   -1 :              -0.00001167726256
                   +0 :              -0.00001327960203
                   +1 :              -0.00000217945841
                   +2 :              -0.00002519493722
             19 vec=     7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :               0.00050158127350
                   +0 :               0.00010267058969
                   +1 :              -0.00051419125710
                3p
                   -1 :              -0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :               0.00023728596463
                3d
                   -2 :              -0.00002249032849
                   -1 :               0.00001167726256
                   +0 :              -0.00001327960203
                   +1 :               0.00000217945841
                   +2 :              -0.00002519493722
             20 vec=     7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :              -0.00050158127350
                   +0 :               0.00010267058969
                   +1 :              -0.00051419125710
                3p
                   -1 :               0.00024318695458
                   +0 :              -0.00002786343343
                   +1 :               0.00023728596463
                3d
                   -2 :               0.00002249032849
                   -1 :              -0.00001167726256
                   +0 :              -0.00001327960203
                   +1 :               0.00000217945841
                   +2 :              -0.00002519493722
             21 vec=   -10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :              -0.00030450348164
                   +0 :               0.00008299248186
                   +1 :              -0.00017733884669
                3p
                   -1 :              -0.00008974884566
                   +0 :               0.00007245282336
                   +1 :              -0.00009549947912
                3d
                   -2 :               0.00002996991131
                   -1 :              -0.00003150995257
                   +0 :              -0.00003080635461
                   +1 :              -0.00003923870946
                   +2 :              -0.00003644922519
             22 vec=   -10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :               0.00030450348164
                   +0 :               0.00008299248186
                   +1 :              -0.00017733884669
                3p
                   -1 :               0.00008974884566
                   +0 :               0.00007245282336
                   +1 :              -0.00009549947912
                3d
                   -2 :              -0.00002996991131
                   -1 :               0.00003150995257
                   +0 :              -0.00003080635461
                   +1 :              -0.00003923870946
                   +2 :              -0.00003644922519
             23 vec=    10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :              -0.00030450348164
                   +0 :               0.00008299248186
                   +1 :               0.00017733884669
                3p
                   -1 :              -0.00008974884566
                   +0 :               0.00007245282336
                   +1 :               0.00009549947912
                3d
                   -2 :              -0.00002996991131
                   -1 :              -0.00003150995257
                   +0 :              -0.00003080635461
                   +1 :               0.00003923870946
                   +2 :              -0.00003644922519
             24 vec=    10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :               0.00030450348164
                   +0 :               0.00008299248186
                   +1 :               0.00017733884669
                3p
                   -1 :               0.00008974884566
                   +0 :               0.00007245282336
                   +1 :               0.00009549947912
                3d
                   -2 :               0.00002996991131
                   -1 :               0.00003150995257
                   +0 :              -0.00003080635461
                   +1 :               0.00003923870946
                   +2 :              -0.00003644922519
             25 vec=   -14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :               0.00032637431182
                   +0 :               0.00012831596274
                   +1 :               0.00022787175007
                3p
                   -1 :              -0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :               0.00004926866650
                3d
                   -2 :              -0.00000636856708
                   -1 :               0.00000904654624
                   +0 :               0.00000070824634
                   +1 :               0.00001364104619
                   +2 :              -0.00005466227826
             26 vec=   -14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :              -0.00032637431182
                   +0 :               0.00012831596274
                   +1 :               0.00022787175007
                3p
                   -1 :               0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :               0.00004926866650
                3d
                   -2 :               0.00000636856708
                   -1 :              -0.00000904654624
                   +0 :               0.00000070824634
                   +1 :               0.00001364104619
                   +2 :              -0.00005466227826
             27 vec=    14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :               0.00032637431182
                   +0 :               0.00012831596274
                   +1 :              -0.00022787175007
                3p
                   -1 :              -0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :              -0.00004926866650
                3d
                   -2 :               0.00000636856708
                   -1 :               0.00000904654624
                   +0 :               0.00000070824634
                   +1 :              -0.00001364104619
                   +2 :              -0.00005466227826
             28 vec=    14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :              -0.00032637431182
                   +0 :               0.00012831596274
                   +1 :              -0.00022787175007
                3p
                   -1 :               0.00005229401990
                   +0 :              -0.00015038046775
                   +1 :              -0.00004926866650
                3d
                   -2 :              -0.00000636856708
                   -1 :              -0.00000904654624
                   +0 :               0.00000070824634
                   +1 :              -0.00001364104619
                   +2 :              -0.00005466227826
             29 vec=    -3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :              -0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :               0.00006949980839
                3p
                   -1 :               0.00003953706382
                   +0 :               0.00004141629564
                   +1 :              -0.00002202167244
                3d
                   -2 :               0.00000382871223
                   -1 :               0.00000337100747
                   +0 :               0.00000385744712
                   +1 :               0.00000222185616
                   +2 :              -0.00001966727547
             30 vec=    -3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :               0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :               0.00006949980839
                3p
                   -1 :              -0.00003953706382
                   +0 :               0.00004141629564
                   +1 :              -0.00002202167244
                3d
                   -2 :              -0.00000382871223
                   -1 :              -0.00000337100747
                   +0 :               0.00000385744712
                   +1 :               0.00000222185616
                   +2 :              -0.00001966727547
             31 vec=     3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :              -0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :              -0.00006949980839
                3p
                   -1 :               0.00003953706382
                   +0 :               0.00004141629564
                   +1 :               0.00002202167244
                3d
                   -2 :              -0.00000382871223
                   -1 :               0.00000337100747
                   +0 :               0.00000385744712
                   +1 :              -0.00000222185616
                   +2 :              -0.00001966727547
             32 vec=     3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :               0.00020018884981
                   +0 :              -0.00007727534302
                   +1 :              -0.00006949980839
                3p
                   -1 :              -0.00003953706382
                   +0 :               0.00004141629564
                   +1 :               0.00002202167244
                3d
                   -2 :               0.00000382871223
                   -1 :              -0.00000337100747
                   +0 :               0.00000385744712
                   +1 :              -0.00000222185616
                   +2 :              -0.00001966727547
             33 vec=    -3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000114807011
                2s
                   +0 :              -0.00003020064736
                3s
                   +0 :               0.00006980460175
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00044134097471
                   +1 :               0.00011066952566
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00031201570475
                   +1 :               0.00002101434869
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002183082450
                   +1 :              -0.00000974487667
                   +2 :               0.00000894562632
             34 vec=     3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000114807011
                2s
                   +0 :              -0.00003020064736
                3s
                   +0 :               0.00006980460175
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00044134097471
                   +1 :              -0.00011066952566
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00031201570475
                   +1 :              -0.00002101434869
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00002183082450
                   +1 :               0.00000974487667
                   +2 :               0.00000894562632
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site La(  1)  npairs=  38
              1 vec=    -3.573189      0.000000     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.03717601255812
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.09663851739866
                   +1 :              -0.06678524192137
                6s
                   +0 :               0.01914944531328
                7s
                   +0 :               0.00175170848615
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.03876110667534
                   +1 :              -0.06452571942247
                   +2 :              -0.02679516653704
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00143670048782
                   +1 :              -0.00547753049715
                   +2 :              -0.00213742735572
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00378884906353
                   +1 :              -0.00048640344862
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.01039927423270
                   +1 :              -0.03402781102615
                   +2 :              -0.02659633921999
                   +3 :              -0.00594331424910
              2 vec=     3.573189      0.000000     -3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.03717601255812
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.09663851739866
                   +1 :              -0.06678524192137
                6s
                   +0 :              -0.01914944531328
                7s
                   +0 :              -0.00175170848615
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.03876110667534
                   +1 :              -0.06452571942247
                   +2 :               0.02679516653704
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00143670048782
                   +1 :              -0.00547753049715
                   +2 :               0.00213742735572
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00378884906353
                   +1 :              -0.00048640344862
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01039927423270
                   +1 :              -0.03402781102615
                   +2 :               0.02659633921999
                   +3 :              -0.00594331424910
              3 vec=    -3.573189     -7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :               0.00062523979798
                   +0 :              -0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :              -0.00408392231459
                   +0 :              -0.00122444657447
                   +1 :               0.00181083738308
                   +2 :               0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :               0.00008973176267
                   +0 :               0.00014750288558
                   +1 :              -0.00003646085461
                   +2 :              -0.00002819037306
                6p
                   -1 :               0.00020119893672
                   +0 :              -0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :              -0.00077012922547
                   -2 :               0.00032583673462
                   -1 :              -0.00225686133107
                   +0 :              -0.00004150860142
                   +1 :               0.00100325989277
                   +2 :               0.00191482158502
                   +3 :              -0.00026273774429
              4 vec=    -3.573189      7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :              -0.00062523979798
                   +0 :              -0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :               0.00408392231459
                   +0 :              -0.00122444657447
                   +1 :               0.00181083738308
                   +2 :               0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :              -0.00008973176267
                   +0 :               0.00014750288558
                   +1 :              -0.00003646085461
                   +2 :              -0.00002819037306
                6p
                   -1 :              -0.00020119893672
                   +0 :              -0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :               0.00077012922547
                   -2 :              -0.00032583673462
                   -1 :               0.00225686133107
                   +0 :              -0.00004150860142
                   +1 :               0.00100325989277
                   +2 :               0.00191482158502
                   +3 :              -0.00026273774429
              5 vec=     3.573189     -7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :              -0.00062523979798
                   +0 :               0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :               0.00408392231459
                   +0 :               0.00122444657447
                   +1 :               0.00181083738308
                   +2 :              -0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :              -0.00008973176267
                   +0 :              -0.00014750288558
                   +1 :              -0.00003646085461
                   +2 :               0.00002819037306
                6p
                   -1 :              -0.00020119893672
                   +0 :               0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :               0.00077012922547
                   -2 :               0.00032583673462
                   -1 :               0.00225686133107
                   +0 :               0.00004150860142
                   +1 :               0.00100325989277
                   +2 :              -0.00191482158502
                   +3 :              -0.00026273774429
              6 vec=     3.573189      7.146377     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :               0.00062523979798
                   +0 :               0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :              -0.00408392231459
                   +0 :               0.00122444657447
                   +1 :               0.00181083738308
                   +2 :              -0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :               0.00008973176267
                   +0 :              -0.00014750288558
                   +1 :              -0.00003646085461
                   +2 :               0.00002819037306
                6p
                   -1 :               0.00020119893672
                   +0 :               0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :              -0.00077012922547
                   -2 :              -0.00032583673462
                   -1 :              -0.00225686133107
                   +0 :               0.00004150860142
                   +1 :               0.00100325989277
                   +2 :              -0.00191482158502
                   +3 :              -0.00026273774429
              7 vec=     0.000000     -3.573189      9.013109   |vec|=    9.695556
                5p
                   -1 :              -0.00000000000000
                   +1 :              -0.00021023056539
                5d
                   -2 :               0.00331589748007
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00006677255867
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00040512967748
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00017430503927
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +1 :               0.00036665372923
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00083005180286
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00091999191427
                   +2 :              -0.00000000000000
                   +3 :              -0.00135857347963
              8 vec=     0.000000      3.573189      9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00021023056539
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00331589748007
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00006677255867
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00040512967748
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00017430503927
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00036665372923
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00083005180286
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00091999191427
                   +2 :               0.00000000000000
                   +3 :              -0.00135857347963
              9 vec=   -10.719566      0.000000     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00005793310862
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00001233165896
                   +1 :              -0.00184695211218
                6s
                   +0 :               0.00165854645389
                7s
                   +0 :              -0.00041670418082
                5d
                   -1 :              -0.00000000000000
                   +0 :               0.00169547210074
                   +1 :               0.00154655253490
                   +2 :              -0.00028754153874
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00061421251495
                   +1 :              -0.00070787767838
                   +2 :               0.00078042665176
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00024805690108
                   +1 :              -0.00064186555467
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00016421060955
                   +1 :               0.00075149324044
                   +2 :               0.00005029056787
                   +3 :              -0.00029828711412
             10 vec=    10.719566      0.000000     -3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00005793310862
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00001233165896
                   +1 :              -0.00184695211218
                6s
                   +0 :              -0.00165854645389
                7s
                   +0 :               0.00041670418082
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00169547210074
                   +1 :               0.00154655253490
                   +2 :               0.00028754153874
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00061421251495
                   +1 :              -0.00070787767838
                   +2 :              -0.00078042665176
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00024805690108
                   +1 :              -0.00064186555467
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00016421060955
                   +1 :               0.00075149324044
                   +2 :              -0.00005029056787
                   +3 :              -0.00029828711412
             11 vec=    -7.146377     -3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :               0.00003175696093
                   +0 :               0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :              -0.00024479937963
                   +0 :              -0.00035990437528
                   +1 :              -0.00026380463303
                   +2 :              -0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :              -0.00078920718602
                   +0 :               0.00039434288727
                   +1 :              -0.00036990903598
                   +2 :              -0.00013453684866
                6p
                   -1 :              -0.00029189008298
                   +0 :               0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :              -0.00045628934003
                   -2 :              -0.00023567814760
                   -1 :               0.00081804026797
                   +0 :               0.00040765495230
                   +1 :               0.00073496514144
                   +2 :               0.00034729636586
                   +3 :               0.00000915154168
             12 vec=    -7.146377      3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :              -0.00003175696093
                   +0 :               0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :               0.00024479937963
                   +0 :              -0.00035990437528
                   +1 :              -0.00026380463303
                   +2 :              -0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :               0.00078920718602
                   +0 :               0.00039434288727
                   +1 :              -0.00036990903598
                   +2 :              -0.00013453684866
                6p
                   -1 :               0.00029189008298
                   +0 :               0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :               0.00045628934003
                   -2 :               0.00023567814760
                   -1 :              -0.00081804026797
                   +0 :               0.00040765495230
                   +1 :               0.00073496514144
                   +2 :               0.00034729636586
                   +3 :               0.00000915154168
             13 vec=     7.146377     -3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :              -0.00003175696093
                   +0 :              -0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :               0.00024479937963
                   +0 :               0.00035990437528
                   +1 :              -0.00026380463303
                   +2 :               0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :               0.00078920718602
                   +0 :              -0.00039434288727
                   +1 :              -0.00036990903598
                   +2 :               0.00013453684866
                6p
                   -1 :               0.00029189008298
                   +0 :              -0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :               0.00045628934003
                   -2 :              -0.00023567814760
                   -1 :              -0.00081804026797
                   +0 :              -0.00040765495230
                   +1 :               0.00073496514144
                   +2 :              -0.00034729636586
                   +3 :               0.00000915154168
             14 vec=     7.146377      3.573189      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :               0.00003175696093
                   +0 :              -0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :              -0.00024479937963
                   +0 :               0.00035990437528
                   +1 :              -0.00026380463303
                   +2 :               0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :              -0.00078920718602
                   +0 :              -0.00039434288727
                   +1 :              -0.00036990903598
                   +2 :               0.00013453684866
                6p
                   -1 :              -0.00029189008298
                   +0 :              -0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :              -0.00045628934003
                   -2 :               0.00023567814760
                   -1 :               0.00081804026797
                   +0 :              -0.00040765495230
                   +1 :               0.00073496514144
                   +2 :              -0.00034729636586
                   +3 :               0.00000915154168
             15 vec=   -10.719566     -7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :               0.00010298200656
                   +0 :              -0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :               0.00111597473338
                   +0 :               0.00076439436895
                   +1 :               0.00014115071873
                   +2 :               0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :              -0.00020809923494
                   +0 :              -0.00012719203530
                   +1 :              -0.00019621496489
                   +2 :              -0.00004674132376
                6p
                   -1 :              -0.00024789499550
                   +0 :              -0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :               0.00003446381717
                   -2 :               0.00065803977587
                   -1 :               0.00030408196694
                   +0 :              -0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :              -0.00041563381615
                   +3 :               0.00054313071661
             16 vec=   -10.719566      7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :              -0.00010298200656
                   +0 :              -0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :              -0.00111597473338
                   +0 :               0.00076439436895
                   +1 :               0.00014115071873
                   +2 :               0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :               0.00020809923494
                   +0 :              -0.00012719203530
                   +1 :              -0.00019621496489
                   +2 :              -0.00004674132376
                6p
                   -1 :               0.00024789499550
                   +0 :              -0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :              -0.00003446381717
                   -2 :              -0.00065803977587
                   -1 :              -0.00030408196694
                   +0 :              -0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :              -0.00041563381615
                   +3 :               0.00054313071661
             17 vec=    10.719566     -7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :              -0.00010298200656
                   +0 :               0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :              -0.00111597473338
                   +0 :              -0.00076439436895
                   +1 :               0.00014115071873
                   +2 :              -0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :               0.00020809923494
                   +0 :               0.00012719203530
                   +1 :              -0.00019621496489
                   +2 :               0.00004674132376
                6p
                   -1 :               0.00024789499550
                   +0 :               0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :              -0.00003446381717
                   -2 :               0.00065803977587
                   -1 :              -0.00030408196694
                   +0 :               0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :               0.00041563381615
                   +3 :               0.00054313071661
             18 vec=    10.719566      7.146377     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :               0.00010298200656
                   +0 :               0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :               0.00111597473338
                   +0 :              -0.00076439436895
                   +1 :               0.00014115071873
                   +2 :              -0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :              -0.00020809923494
                   +0 :               0.00012719203530
                   +1 :              -0.00019621496489
                   +2 :               0.00004674132376
                6p
                   -1 :              -0.00024789499550
                   +0 :               0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :               0.00003446381717
                   -2 :              -0.00065803977587
                   -1 :               0.00030408196694
                   +0 :               0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :               0.00041563381615
                   +3 :               0.00054313071661
             19 vec=     0.000000    -10.719566      9.013109   |vec|=   14.005186
                5p
                   -1 :              -0.00000000000000
                   +1 :              -0.00005560581404
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00003707913669
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005567556350
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004239838939
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00013814410734
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :               0.00010071290114
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00003765703126
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017145807316
                   +2 :              -0.00000000000000
                   +3 :               0.00002098407883
             20 vec=     0.000000     10.719566      9.013109   |vec|=   14.005186
                5p
                   -1 :               0.00000000000000
                   +1 :              -0.00005560581404
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00003707913669
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00005567556350
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004239838939
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00013814410734
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00010071290114
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00003765703126
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00017145807316
                   +2 :               0.00000000000000
                   +3 :               0.00002098407883
             21 vec=    -3.573189    -14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :               0.00008804748030
                   +0 :               0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :               0.00030229418493
                   +0 :               0.00030810925700
                   +1 :              -0.00020632318295
                   +2 :               0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :              -0.00009344449342
                   +0 :              -0.00008906636128
                   +1 :               0.00001415008075
                   +2 :              -0.00006866395108
                6p
                   -1 :              -0.00005315479128
                   +0 :               0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :               0.00022499437978
                   -2 :              -0.00015036937247
                   -1 :               0.00023901971104
                   +0 :               0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :              -0.00011147415574
                   +3 :               0.00002465164283
             22 vec=    -3.573189     14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :              -0.00008804748030
                   +0 :               0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :              -0.00030229418493
                   +0 :               0.00030810925700
                   +1 :              -0.00020632318295
                   +2 :               0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :               0.00009344449342
                   +0 :              -0.00008906636128
                   +1 :               0.00001415008075
                   +2 :              -0.00006866395108
                6p
                   -1 :               0.00005315479128
                   +0 :               0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :              -0.00022499437978
                   -2 :               0.00015036937247
                   -1 :              -0.00023901971104
                   +0 :               0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :              -0.00011147415574
                   +3 :               0.00002465164283
             23 vec=     3.573189    -14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :              -0.00008804748030
                   +0 :              -0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :              -0.00030229418493
                   +0 :              -0.00030810925700
                   +1 :              -0.00020632318295
                   +2 :              -0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :               0.00009344449342
                   +0 :               0.00008906636128
                   +1 :               0.00001415008075
                   +2 :               0.00006866395108
                6p
                   -1 :               0.00005315479128
                   +0 :              -0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :              -0.00022499437978
                   -2 :              -0.00015036937247
                   -1 :              -0.00023901971104
                   +0 :              -0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :               0.00011147415574
                   +3 :               0.00002465164283
             24 vec=     3.573189     14.292755     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :               0.00008804748030
                   +0 :              -0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :               0.00030229418493
                   +0 :              -0.00030810925700
                   +1 :              -0.00020632318295
                   +2 :              -0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :              -0.00009344449342
                   +0 :               0.00008906636128
                   +1 :               0.00001415008075
                   +2 :               0.00006866395108
                6p
                   -1 :              -0.00005315479128
                   +0 :              -0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :               0.00022499437978
                   -2 :               0.00015036937247
                   -1 :               0.00023901971104
                   +0 :              -0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :               0.00011147415574
                   +3 :               0.00002465164283
             25 vec=    -7.146377    -10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :               0.00009566665440
                   +0 :               0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :              -0.00011278774618
                   +0 :              -0.00023884214746
                   +1 :               0.00002122633742
                   +2 :              -0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :              -0.00000667473211
                   +0 :               0.00002264446281
                   +1 :              -0.00009852771622
                   +2 :               0.00007360012505
                6p
                   -1 :              -0.00005335125765
                   +0 :               0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :              -0.00011728932222
                   -2 :               0.00000469627966
                   -1 :               0.00001698839971
                   +0 :               0.00012462665193
                   +1 :               0.00005662228001
                   +2 :               0.00006267875334
                   +3 :              -0.00000700462699
             26 vec=    -7.146377     10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :              -0.00009566665440
                   +0 :               0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :               0.00011278774618
                   +0 :              -0.00023884214746
                   +1 :               0.00002122633742
                   +2 :              -0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :               0.00000667473211
                   +0 :               0.00002264446281
                   +1 :              -0.00009852771622
                   +2 :               0.00007360012505
                6p
                   -1 :               0.00005335125765
                   +0 :               0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :               0.00011728932222
                   -2 :              -0.00000469627966
                   -1 :              -0.00001698839971
                   +0 :               0.00012462665193
                   +1 :               0.00005662228001
                   +2 :               0.00006267875334
                   +3 :              -0.00000700462699
             27 vec=     7.146377    -10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :              -0.00009566665440
                   +0 :              -0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :               0.00011278774618
                   +0 :               0.00023884214746
                   +1 :               0.00002122633742
                   +2 :               0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :               0.00000667473211
                   +0 :              -0.00002264446281
                   +1 :              -0.00009852771622
                   +2 :              -0.00007360012505
                6p
                   -1 :               0.00005335125765
                   +0 :              -0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :               0.00011728932222
                   -2 :               0.00000469627966
                   -1 :              -0.00001698839971
                   +0 :              -0.00012462665193
                   +1 :               0.00005662228001
                   +2 :              -0.00006267875334
                   +3 :              -0.00000700462699
             28 vec=     7.146377     10.719566      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :               0.00009566665440
                   +0 :              -0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :              -0.00011278774618
                   +0 :               0.00023884214746
                   +1 :               0.00002122633742
                   +2 :               0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :              -0.00000667473211
                   +0 :              -0.00002264446281
                   +1 :              -0.00009852771622
                   +2 :              -0.00007360012505
                6p
                   -1 :              -0.00005335125765
                   +0 :              -0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :              -0.00011728932222
                   -2 :              -0.00000469627966
                   -1 :               0.00001698839971
                   +0 :              -0.00012462665193
                   +1 :               0.00005662228001
                   +2 :              -0.00006267875334
                   +3 :              -0.00000700462699
             29 vec=     0.000000     -3.573189    -16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00007131822625
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00061539517447
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00022604735821
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00001971802257
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000595408806
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000065803059
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00041966478424
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002077717309
                   +2 :               0.00000000000000
                   +3 :               0.00031385919871
             30 vec=     0.000000      3.573189    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +1 :               0.00007131822625
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00061539517447
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00022604735821
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00001971802257
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000595408806
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :              -0.00000065803059
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00041966478424
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002077717309
                   +2 :              -0.00000000000000
                   +3 :               0.00031385919871
             31 vec=   -14.292755     -3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :              -0.00004776242883
                   +0 :               0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :               0.00014135525476
                   +0 :               0.00005300205466
                   +1 :               0.00015449133881
                   +2 :              -0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :              -0.00008451804151
                   +0 :              -0.00001377060824
                   +1 :              -0.00006517506339
                   +2 :               0.00010930529258
                6p
                   -1 :               0.00005114275561
                   +0 :              -0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :              -0.00002612679189
                   -2 :               0.00003274423702
                   -1 :              -0.00010621877701
                   +0 :              -0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :               0.00016970867953
                   +3 :              -0.00012661669167
             32 vec=   -14.292755      3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :               0.00004776242883
                   +0 :               0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :              -0.00014135525476
                   +0 :               0.00005300205466
                   +1 :               0.00015449133881
                   +2 :              -0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :               0.00008451804151
                   +0 :              -0.00001377060824
                   +1 :              -0.00006517506339
                   +2 :               0.00010930529258
                6p
                   -1 :              -0.00005114275561
                   +0 :              -0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :               0.00002612679189
                   -2 :              -0.00003274423702
                   -1 :               0.00010621877701
                   +0 :              -0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :               0.00016970867953
                   +3 :              -0.00012661669167
             33 vec=    14.292755     -3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :               0.00004776242883
                   +0 :              -0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :              -0.00014135525476
                   +0 :              -0.00005300205466
                   +1 :               0.00015449133881
                   +2 :               0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :               0.00008451804151
                   +0 :               0.00001377060824
                   +1 :              -0.00006517506339
                   +2 :              -0.00010930529258
                6p
                   -1 :              -0.00005114275561
                   +0 :               0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :               0.00002612679189
                   -2 :               0.00003274423702
                   -1 :               0.00010621877701
                   +0 :               0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :              -0.00016970867953
                   +3 :              -0.00012661669167
             34 vec=    14.292755      3.573189      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :              -0.00004776242883
                   +0 :              -0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :               0.00014135525476
                   +0 :              -0.00005300205466
                   +1 :               0.00015449133881
                   +2 :               0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :              -0.00008451804151
                   +0 :               0.00001377060824
                   +1 :              -0.00006517506339
                   +2 :              -0.00010930529258
                6p
                   -1 :               0.00005114275561
                   +0 :               0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :              -0.00002612679189
                   -2 :              -0.00003274423702
                   -1 :              -0.00010621877701
                   +0 :               0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :              -0.00016970867953
                   +3 :              -0.00012661669167
             35 vec=    -7.146377     -3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :              -0.00004259574265
                   +0 :               0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :               0.00004305684021
                   +0 :               0.00022132207386
                   +1 :              -0.00003505856761
                   +2 :              -0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :              -0.00007140764005
                   +0 :              -0.00016316445736
                   +1 :               0.00001324673220
                   +2 :               0.00003948645383
                6p
                   -1 :               0.00003970843278
                   +0 :              -0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :               0.00014874319955
                   -2 :               0.00016292957083
                   -1 :               0.00008215344446
                   +0 :               0.00008627326517
                   +1 :               0.00008614529198
                   +2 :              -0.00002039519098
                   +3 :              -0.00018005522158
             36 vec=    -7.146377      3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :               0.00004259574265
                   +0 :               0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :              -0.00004305684021
                   +0 :               0.00022132207386
                   +1 :              -0.00003505856761
                   +2 :              -0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :               0.00007140764005
                   +0 :              -0.00016316445736
                   +1 :               0.00001324673220
                   +2 :               0.00003948645383
                6p
                   -1 :              -0.00003970843278
                   +0 :              -0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :              -0.00014874319955
                   -2 :              -0.00016292957083
                   -1 :              -0.00008215344446
                   +0 :               0.00008627326517
                   +1 :               0.00008614529198
                   +2 :              -0.00002039519098
                   +3 :              -0.00018005522158
             37 vec=     7.146377     -3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :               0.00004259574265
                   +0 :              -0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :              -0.00004305684021
                   +0 :              -0.00022132207386
                   +1 :              -0.00003505856761
                   +2 :               0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :               0.00007140764005
                   +0 :               0.00016316445736
                   +1 :               0.00001324673220
                   +2 :              -0.00003948645383
                6p
                   -1 :              -0.00003970843278
                   +0 :               0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :              -0.00014874319955
                   -2 :               0.00016292957083
                   -1 :              -0.00008215344446
                   +0 :              -0.00008627326517
                   +1 :               0.00008614529198
                   +2 :               0.00002039519098
                   +3 :              -0.00018005522158
             38 vec=     7.146377      3.573189    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :              -0.00004259574265
                   +0 :              -0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :               0.00004305684021
                   +0 :              -0.00022132207386
                   +1 :              -0.00003505856761
                   +2 :               0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :              -0.00007140764005
                   +0 :               0.00016316445736
                   +1 :               0.00001324673220
                   +2 :              -0.00003948645383
                6p
                   -1 :               0.00003970843278
                   +0 :               0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :               0.00014874319955
                   -2 :              -0.00016292957083
                   -1 :               0.00008215344446
                   +0 :              -0.00008627326517
                   +1 :               0.00008614529198
                   +2 :               0.00002039519098
                   +3 :              -0.00018005522158
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site La(  2)  npairs=  38
              1 vec=    -3.573189      0.000000      3.505098   |vec|=    5.005336
                5s
                   +0 :               0.03717601255812
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.09663851739866
                   +1 :              -0.06678524192137
                6s
                   +0 :               0.01914944531328
                7s
                   +0 :               0.00175170848615
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.03876110667534
                   +1 :               0.06452571942247
                   +2 :              -0.02679516653704
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00143670048782
                   +1 :               0.00547753049715
                   +2 :              -0.00213742735572
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00378884906353
                   +1 :              -0.00048640344862
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01039927423270
                   +1 :              -0.03402781102615
                   +2 :               0.02659633921999
                   +3 :              -0.00594331424910
              2 vec=     3.573189      0.000000      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.03717601255812
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.09663851739866
                   +1 :              -0.06678524192137
                6s
                   +0 :              -0.01914944531328
                7s
                   +0 :              -0.00175170848615
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.03876110667534
                   +1 :               0.06452571942247
                   +2 :               0.02679516653704
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00143670048782
                   +1 :               0.00547753049715
                   +2 :               0.00213742735572
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00378884906353
                   +1 :              -0.00048640344862
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.01039927423270
                   +1 :              -0.03402781102615
                   +2 :              -0.02659633921999
                   +3 :              -0.00594331424910
              3 vec=    -3.573189     -7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :               0.00062523979798
                   +0 :               0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :               0.00408392231459
                   +0 :              -0.00122444657447
                   +1 :              -0.00181083738308
                   +2 :               0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :              -0.00008973176267
                   +0 :               0.00014750288558
                   +1 :               0.00003646085461
                   +2 :              -0.00002819037306
                6p
                   -1 :               0.00020119893672
                   +0 :               0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :              -0.00077012922547
                   -2 :              -0.00032583673462
                   -1 :              -0.00225686133107
                   +0 :               0.00004150860142
                   +1 :               0.00100325989277
                   +2 :              -0.00191482158502
                   +3 :              -0.00026273774429
              4 vec=    -3.573189      7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :              -0.00062523979798
                   +0 :               0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :              -0.00408392231459
                   +0 :              -0.00122444657447
                   +1 :              -0.00181083738308
                   +2 :               0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :               0.00008973176267
                   +0 :               0.00014750288558
                   +1 :               0.00003646085461
                   +2 :              -0.00002819037306
                6p
                   -1 :              -0.00020119893672
                   +0 :               0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :               0.00077012922547
                   -2 :               0.00032583673462
                   -1 :               0.00225686133107
                   +0 :               0.00004150860142
                   +1 :               0.00100325989277
                   +2 :              -0.00191482158502
                   +3 :              -0.00026273774429
              5 vec=     3.573189     -7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :              -0.00062523979798
                   +0 :              -0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :              -0.00408392231459
                   +0 :               0.00122444657447
                   +1 :              -0.00181083738308
                   +2 :              -0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :               0.00008973176267
                   +0 :              -0.00014750288558
                   +1 :               0.00003646085461
                   +2 :               0.00002819037306
                6p
                   -1 :              -0.00020119893672
                   +0 :              -0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :               0.00077012922547
                   -2 :              -0.00032583673462
                   -1 :               0.00225686133107
                   +0 :              -0.00004150860142
                   +1 :               0.00100325989277
                   +2 :               0.00191482158502
                   +3 :              -0.00026273774429
              6 vec=     3.573189      7.146377      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :               0.00062523979798
                   +0 :              -0.00037205201986
                   +1 :              -0.00027952653745
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :               0.00408392231459
                   +0 :               0.00122444657447
                   +1 :              -0.00181083738308
                   +2 :              -0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :              -0.00008973176267
                   +0 :              -0.00014750288558
                   +1 :               0.00003646085461
                   +2 :               0.00002819037306
                6p
                   -1 :               0.00020119893672
                   +0 :              -0.00006877958762
                   +1 :               0.00034696527484
                4f
                   -3 :              -0.00077012922547
                   -2 :               0.00032583673462
                   -1 :              -0.00225686133107
                   +0 :              -0.00004150860142
                   +1 :               0.00100325989277
                   +2 :               0.00191482158502
                   +3 :              -0.00026273774429
              7 vec=     0.000000     -3.573189     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00021023056539
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00331589748007
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00006677255867
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00040512967748
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017430503927
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00036665372923
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00083005180286
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00091999191427
                   +2 :               0.00000000000000
                   +3 :              -0.00135857347963
              8 vec=     0.000000      3.573189     -9.013109   |vec|=    9.695556
                5p
                   -1 :              -0.00000000000000
                   +1 :              -0.00021023056539
                5d
                   -2 :              -0.00331589748007
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006677255867
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00040512967748
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00017430503927
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +1 :               0.00036665372923
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00083005180286
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00091999191427
                   +2 :              -0.00000000000000
                   +3 :              -0.00135857347963
              9 vec=   -10.719566      0.000000      3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00005793310862
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00001233165896
                   +1 :              -0.00184695211218
                6s
                   +0 :               0.00165854645389
                7s
                   +0 :              -0.00041670418082
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00169547210074
                   +1 :              -0.00154655253490
                   +2 :              -0.00028754153874
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00061421251495
                   +1 :               0.00070787767838
                   +2 :               0.00078042665176
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00024805690108
                   +1 :              -0.00064186555467
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00016421060955
                   +1 :               0.00075149324044
                   +2 :              -0.00005029056787
                   +3 :              -0.00029828711412
             10 vec=    10.719566      0.000000      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00005793310862
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00001233165896
                   +1 :              -0.00184695211218
                6s
                   +0 :              -0.00165854645389
                7s
                   +0 :               0.00041670418082
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00169547210074
                   +1 :              -0.00154655253490
                   +2 :               0.00028754153874
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00061421251495
                   +1 :               0.00070787767838
                   +2 :              -0.00078042665176
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00024805690108
                   +1 :              -0.00064186555467
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00016421060955
                   +1 :               0.00075149324044
                   +2 :               0.00005029056787
                   +3 :              -0.00029828711412
             11 vec=    -7.146377     -3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :               0.00003175696093
                   +0 :              -0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :               0.00024479937963
                   +0 :              -0.00035990437528
                   +1 :               0.00026380463303
                   +2 :              -0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :               0.00078920718602
                   +0 :               0.00039434288727
                   +1 :               0.00036990903598
                   +2 :              -0.00013453684866
                6p
                   -1 :              -0.00029189008298
                   +0 :              -0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :              -0.00045628934003
                   -2 :               0.00023567814760
                   -1 :               0.00081804026797
                   +0 :              -0.00040765495230
                   +1 :               0.00073496514144
                   +2 :              -0.00034729636586
                   +3 :               0.00000915154168
             12 vec=    -7.146377      3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :              -0.00003175696093
                   +0 :              -0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :              -0.00024479937963
                   +0 :              -0.00035990437528
                   +1 :               0.00026380463303
                   +2 :              -0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :              -0.00078920718602
                   +0 :               0.00039434288727
                   +1 :               0.00036990903598
                   +2 :              -0.00013453684866
                6p
                   -1 :               0.00029189008298
                   +0 :              -0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :               0.00045628934003
                   -2 :              -0.00023567814760
                   -1 :              -0.00081804026797
                   +0 :              -0.00040765495230
                   +1 :               0.00073496514144
                   +2 :              -0.00034729636586
                   +3 :               0.00000915154168
             13 vec=     7.146377     -3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :              -0.00003175696093
                   +0 :               0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :              -0.00024479937963
                   +0 :               0.00035990437528
                   +1 :               0.00026380463303
                   +2 :               0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :              -0.00078920718602
                   +0 :              -0.00039434288727
                   +1 :               0.00036990903598
                   +2 :               0.00013453684866
                6p
                   -1 :               0.00029189008298
                   +0 :               0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :               0.00045628934003
                   -2 :               0.00023567814760
                   -1 :              -0.00081804026797
                   +0 :               0.00040765495230
                   +1 :               0.00073496514144
                   +2 :               0.00034729636586
                   +3 :               0.00000915154168
             14 vec=     7.146377      3.573189     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :               0.00003175696093
                   +0 :               0.00004275871981
                   +1 :              -0.00017944654767
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :               0.00024479937963
                   +0 :               0.00035990437528
                   +1 :               0.00026380463303
                   +2 :               0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :               0.00078920718602
                   +0 :              -0.00039434288727
                   +1 :               0.00036990903598
                   +2 :               0.00013453684866
                6p
                   -1 :              -0.00029189008298
                   +0 :               0.00061489125425
                   +1 :              -0.00019839333843
                4f
                   -3 :              -0.00045628934003
                   -2 :              -0.00023567814760
                   -1 :               0.00081804026797
                   +0 :               0.00040765495230
                   +1 :               0.00073496514144
                   +2 :               0.00034729636586
                   +3 :               0.00000915154168
             15 vec=   -10.719566     -7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :               0.00010298200656
                   +0 :               0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :              -0.00111597473338
                   +0 :               0.00076439436895
                   +1 :              -0.00014115071873
                   +2 :               0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :               0.00020809923494
                   +0 :              -0.00012719203530
                   +1 :               0.00019621496489
                   +2 :              -0.00004674132376
                6p
                   -1 :              -0.00024789499550
                   +0 :               0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :               0.00003446381717
                   -2 :              -0.00065803977587
                   -1 :               0.00030408196694
                   +0 :               0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :               0.00041563381615
                   +3 :               0.00054313071661
             16 vec=   -10.719566      7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :              -0.00010298200656
                   +0 :               0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :               0.00111597473338
                   +0 :               0.00076439436895
                   +1 :              -0.00014115071873
                   +2 :               0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :              -0.00020809923494
                   +0 :              -0.00012719203530
                   +1 :               0.00019621496489
                   +2 :              -0.00004674132376
                6p
                   -1 :               0.00024789499550
                   +0 :               0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :              -0.00003446381717
                   -2 :               0.00065803977587
                   -1 :              -0.00030408196694
                   +0 :               0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :               0.00041563381615
                   +3 :               0.00054313071661
             17 vec=    10.719566     -7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :              -0.00010298200656
                   +0 :              -0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :               0.00111597473338
                   +0 :              -0.00076439436895
                   +1 :              -0.00014115071873
                   +2 :              -0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :              -0.00020809923494
                   +0 :               0.00012719203530
                   +1 :               0.00019621496489
                   +2 :               0.00004674132376
                6p
                   -1 :               0.00024789499550
                   +0 :              -0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :              -0.00003446381717
                   -2 :              -0.00065803977587
                   -1 :              -0.00030408196694
                   +0 :              -0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :              -0.00041563381615
                   +3 :               0.00054313071661
             18 vec=    10.719566      7.146377      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :               0.00010298200656
                   +0 :              -0.00017499526304
                   +1 :              -0.00026646957637
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :              -0.00111597473338
                   +0 :              -0.00076439436895
                   +1 :              -0.00014115071873
                   +2 :              -0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :               0.00020809923494
                   +0 :               0.00012719203530
                   +1 :               0.00019621496489
                   +2 :               0.00004674132376
                6p
                   -1 :              -0.00024789499550
                   +0 :              -0.00000717157724
                   +1 :              -0.00035704951405
                4f
                   -3 :               0.00003446381717
                   -2 :               0.00065803977587
                   -1 :               0.00030408196694
                   +0 :              -0.00039707321240
                   +1 :              -0.00025306201483
                   +2 :              -0.00041563381615
                   +3 :               0.00054313071661
             19 vec=     0.000000    -10.719566     -9.013109   |vec|=   14.005186
                5p
                   -1 :               0.00000000000000
                   +1 :              -0.00005560581404
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003707913669
                   -1 :              -0.00000000000000
                   +1 :               0.00005567556350
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004239838939
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00013814410734
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :               0.00010071290114
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00003765703126
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00017145807316
                   +2 :               0.00000000000000
                   +3 :               0.00002098407883
             20 vec=     0.000000     10.719566     -9.013109   |vec|=   14.005186
                5p
                   -1 :              -0.00000000000000
                   +1 :              -0.00005560581404
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00003707913669
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005567556350
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004239838939
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00013814410734
                6p
                   -1 :               0.00000000000000
                   +1 :               0.00010071290114
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00003765703126
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017145807316
                   +2 :              -0.00000000000000
                   +3 :               0.00002098407883
             21 vec=    -3.573189    -14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :               0.00008804748030
                   +0 :              -0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :              -0.00030229418493
                   +0 :               0.00030810925700
                   +1 :               0.00020632318295
                   +2 :               0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :               0.00009344449342
                   +0 :              -0.00008906636128
                   +1 :              -0.00001415008075
                   +2 :              -0.00006866395108
                6p
                   -1 :              -0.00005315479128
                   +0 :              -0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :               0.00022499437978
                   -2 :               0.00015036937247
                   -1 :               0.00023901971104
                   +0 :              -0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :               0.00011147415574
                   +3 :               0.00002465164283
             22 vec=    -3.573189     14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :              -0.00008804748030
                   +0 :              -0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :               0.00030229418493
                   +0 :               0.00030810925700
                   +1 :               0.00020632318295
                   +2 :               0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :              -0.00009344449342
                   +0 :              -0.00008906636128
                   +1 :              -0.00001415008075
                   +2 :              -0.00006866395108
                6p
                   -1 :               0.00005315479128
                   +0 :              -0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :              -0.00022499437978
                   -2 :              -0.00015036937247
                   -1 :              -0.00023901971104
                   +0 :              -0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :               0.00011147415574
                   +3 :               0.00002465164283
             23 vec=     3.573189    -14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :              -0.00008804748030
                   +0 :               0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :               0.00030229418493
                   +0 :              -0.00030810925700
                   +1 :               0.00020632318295
                   +2 :              -0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :              -0.00009344449342
                   +0 :               0.00008906636128
                   +1 :              -0.00001415008075
                   +2 :               0.00006866395108
                6p
                   -1 :               0.00005315479128
                   +0 :               0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :              -0.00022499437978
                   -2 :               0.00015036937247
                   -1 :              -0.00023901971104
                   +0 :               0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :              -0.00011147415574
                   +3 :               0.00002465164283
             24 vec=     3.573189     14.292755      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :               0.00008804748030
                   +0 :               0.00005652713183
                   +1 :               0.00005251239557
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :              -0.00030229418493
                   +0 :              -0.00030810925700
                   +1 :               0.00020632318295
                   +2 :              -0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :               0.00009344449342
                   +0 :               0.00008906636128
                   +1 :              -0.00001415008075
                   +2 :               0.00006866395108
                6p
                   -1 :              -0.00005315479128
                   +0 :               0.00005389497750
                   +1 :               0.00000343300676
                4f
                   -3 :               0.00022499437978
                   -2 :              -0.00015036937247
                   -1 :               0.00023901971104
                   +0 :               0.00008601789662
                   +1 :              -0.00001811564057
                   +2 :              -0.00011147415574
                   +3 :               0.00002465164283
             25 vec=    -7.146377    -10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :               0.00009566665440
                   +0 :              -0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :               0.00011278774618
                   +0 :              -0.00023884214746
                   +1 :              -0.00002122633742
                   +2 :              -0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :               0.00000667473211
                   +0 :               0.00002264446281
                   +1 :               0.00009852771622
                   +2 :               0.00007360012505
                6p
                   -1 :              -0.00005335125765
                   +0 :              -0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :              -0.00011728932222
                   -2 :              -0.00000469627966
                   -1 :               0.00001698839971
                   +0 :              -0.00012462665193
                   +1 :               0.00005662228001
                   +2 :              -0.00006267875334
                   +3 :              -0.00000700462699
             26 vec=    -7.146377     10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :              -0.00009566665440
                   +0 :              -0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :              -0.00011278774618
                   +0 :              -0.00023884214746
                   +1 :              -0.00002122633742
                   +2 :              -0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :              -0.00000667473211
                   +0 :               0.00002264446281
                   +1 :               0.00009852771622
                   +2 :               0.00007360012505
                6p
                   -1 :               0.00005335125765
                   +0 :              -0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :               0.00011728932222
                   -2 :               0.00000469627966
                   -1 :              -0.00001698839971
                   +0 :              -0.00012462665193
                   +1 :               0.00005662228001
                   +2 :              -0.00006267875334
                   +3 :              -0.00000700462699
             27 vec=     7.146377    -10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :              -0.00009566665440
                   +0 :               0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :              -0.00011278774618
                   +0 :               0.00023884214746
                   +1 :              -0.00002122633742
                   +2 :               0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :              -0.00000667473211
                   +0 :              -0.00002264446281
                   +1 :               0.00009852771622
                   +2 :              -0.00007360012505
                6p
                   -1 :               0.00005335125765
                   +0 :               0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :               0.00011728932222
                   -2 :              -0.00000469627966
                   -1 :              -0.00001698839971
                   +0 :               0.00012462665193
                   +1 :               0.00005662228001
                   +2 :               0.00006267875334
                   +3 :              -0.00000700462699
             28 vec=     7.146377     10.719566     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :               0.00009566665440
                   +0 :               0.00002853504816
                   +1 :               0.00006939723409
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :               0.00011278774618
                   +0 :               0.00023884214746
                   +1 :              -0.00002122633742
                   +2 :               0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :               0.00000667473211
                   +0 :              -0.00002264446281
                   +1 :               0.00009852771622
                   +2 :              -0.00007360012505
                6p
                   -1 :              -0.00005335125765
                   +0 :               0.00006622290264
                   +1 :              -0.00001211100296
                4f
                   -3 :              -0.00011728932222
                   -2 :               0.00000469627966
                   -1 :               0.00001698839971
                   +0 :               0.00012462665193
                   +1 :               0.00005662228001
                   +2 :               0.00006267875334
                   +3 :              -0.00000700462699
             29 vec=     0.000000     -3.573189     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +1 :               0.00007131822625
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00061539517447
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00022604735821
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00001971802257
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000595408806
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +1 :              -0.00000065803059
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00041966478424
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002077717309
                   +2 :              -0.00000000000000
                   +3 :               0.00031385919871
             30 vec=     0.000000      3.573189     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00007131822625
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00061539517447
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00022604735821
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00001971802257
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000595408806
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000065803059
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00041966478424
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002077717309
                   +2 :               0.00000000000000
                   +3 :               0.00031385919871
             31 vec=   -14.292755     -3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :              -0.00004776242883
                   +0 :              -0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :              -0.00014135525476
                   +0 :               0.00005300205466
                   +1 :              -0.00015449133881
                   +2 :              -0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :               0.00008451804151
                   +0 :              -0.00001377060824
                   +1 :               0.00006517506339
                   +2 :               0.00010930529258
                6p
                   -1 :               0.00005114275561
                   +0 :               0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :              -0.00002612679189
                   -2 :              -0.00003274423702
                   -1 :              -0.00010621877701
                   +0 :               0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :              -0.00016970867953
                   +3 :              -0.00012661669167
             32 vec=   -14.292755      3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :               0.00004776242883
                   +0 :              -0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :               0.00014135525476
                   +0 :               0.00005300205466
                   +1 :              -0.00015449133881
                   +2 :              -0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :              -0.00008451804151
                   +0 :              -0.00001377060824
                   +1 :               0.00006517506339
                   +2 :               0.00010930529258
                6p
                   -1 :              -0.00005114275561
                   +0 :               0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :               0.00002612679189
                   -2 :               0.00003274423702
                   -1 :               0.00010621877701
                   +0 :               0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :              -0.00016970867953
                   +3 :              -0.00012661669167
             33 vec=    14.292755     -3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :               0.00004776242883
                   +0 :               0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :               0.00014135525476
                   +0 :              -0.00005300205466
                   +1 :              -0.00015449133881
                   +2 :               0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :              -0.00008451804151
                   +0 :               0.00001377060824
                   +1 :               0.00006517506339
                   +2 :              -0.00010930529258
                6p
                   -1 :              -0.00005114275561
                   +0 :              -0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :               0.00002612679189
                   -2 :              -0.00003274423702
                   -1 :               0.00010621877701
                   +0 :              -0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :               0.00016970867953
                   +3 :              -0.00012661669167
             34 vec=    14.292755      3.573189     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :              -0.00004776242883
                   +0 :               0.00006433404827
                   +1 :              -0.00000670874585
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :              -0.00014135525476
                   +0 :              -0.00005300205466
                   +1 :              -0.00015449133881
                   +2 :               0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :               0.00008451804151
                   +0 :               0.00001377060824
                   +1 :               0.00006517506339
                   +2 :              -0.00010930529258
                6p
                   -1 :               0.00005114275561
                   +0 :              -0.00001129128868
                   +1 :              -0.00005336810146
                4f
                   -3 :              -0.00002612679189
                   -2 :               0.00003274423702
                   -1 :              -0.00010621877701
                   +0 :              -0.00004750541952
                   +1 :              -0.00002798754057
                   +2 :               0.00016970867953
                   +3 :              -0.00012661669167
             35 vec=    -7.146377     -3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :              -0.00004259574265
                   +0 :              -0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :              -0.00004305684021
                   +0 :               0.00022132207386
                   +1 :               0.00003505856761
                   +2 :              -0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :               0.00007140764005
                   +0 :              -0.00016316445736
                   +1 :              -0.00001324673220
                   +2 :               0.00003948645383
                6p
                   -1 :               0.00003970843278
                   +0 :               0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :               0.00014874319955
                   -2 :              -0.00016292957083
                   -1 :               0.00008215344446
                   +0 :              -0.00008627326517
                   +1 :               0.00008614529198
                   +2 :               0.00002039519098
                   +3 :              -0.00018005522158
             36 vec=    -7.146377      3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :               0.00004259574265
                   +0 :              -0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :               0.00004305684021
                   +0 :               0.00022132207386
                   +1 :               0.00003505856761
                   +2 :              -0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :              -0.00007140764005
                   +0 :              -0.00016316445736
                   +1 :              -0.00001324673220
                   +2 :               0.00003948645383
                6p
                   -1 :              -0.00003970843278
                   +0 :               0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :              -0.00014874319955
                   -2 :               0.00016292957083
                   -1 :              -0.00008215344446
                   +0 :              -0.00008627326517
                   +1 :               0.00008614529198
                   +2 :               0.00002039519098
                   +3 :              -0.00018005522158
             37 vec=     7.146377     -3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :               0.00004259574265
                   +0 :               0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :               0.00004305684021
                   +0 :              -0.00022132207386
                   +1 :               0.00003505856761
                   +2 :               0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :              -0.00007140764005
                   +0 :               0.00016316445736
                   +1 :              -0.00001324673220
                   +2 :              -0.00003948645383
                6p
                   -1 :              -0.00003970843278
                   +0 :              -0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :              -0.00014874319955
                   -2 :              -0.00016292957083
                   -1 :              -0.00008215344446
                   +0 :               0.00008627326517
                   +1 :               0.00008614529198
                   +2 :              -0.00002039519098
                   +3 :              -0.00018005522158
             38 vec=     7.146377      3.573189     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :              -0.00004259574265
                   +0 :               0.00000009768954
                   +1 :               0.00000362869986
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :              -0.00004305684021
                   +0 :              -0.00022132207386
                   +1 :               0.00003505856761
                   +2 :               0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :               0.00007140764005
                   +0 :               0.00016316445736
                   +1 :              -0.00001324673220
                   +2 :              -0.00003948645383
                6p
                   -1 :               0.00003970843278
                   +0 :              -0.00006046036743
                   +1 :               0.00000005607222
                4f
                   -3 :               0.00014874319955
                   -2 :               0.00016292957083
                   -1 :               0.00008215344446
                   +0 :               0.00008627326517
                   +1 :               0.00008614529198
                   +2 :              -0.00002039519098
                   +3 :              -0.00018005522158
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site Cu(  3)  npairs=  46
              1 vec=     0.000000     -3.573189      0.000000   |vec|=    3.573189
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00892041619243
                3d
                   -2 :              -0.04001051704819
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00883579829199
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +1 :               0.02938334030443
              2 vec=     0.000000      3.573189      0.000000   |vec|=    3.573189
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00892041619243
                3d
                   -2 :               0.04001051704819
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00883579829199
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.02938334030443
              3 vec=    -7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00120277734334
                3p
                   -1 :               0.00013307496451
                   +1 :              -0.00044687360796
                4s
                   +0 :               0.00447223586781
                5s
                   +0 :               0.00100423117446
                3d
                   -2 :              -0.00296292153039
                   -1 :               0.00000000000000
                   +0 :              -0.00017680596265
                   +1 :              -0.00000000000000
                   +2 :               0.00088461988232
                4d
                   -2 :              -0.00048404263425
                   -1 :               0.00000000000000
                   +0 :              -0.00021245701418
                   +1 :              -0.00000000000000
                   +2 :               0.00029894254343
                4p
                   -1 :               0.00265692211155
                   +0 :               0.00000000000000
                   +1 :              -0.00201983090471
              4 vec=    -7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00120277734334
                3p
                   -1 :              -0.00013307496451
                   +0 :              -0.00000000000000
                   +1 :              -0.00044687360796
                4s
                   +0 :               0.00447223586781
                5s
                   +0 :               0.00100423117446
                3d
                   -2 :               0.00296292153039
                   -1 :              -0.00000000000000
                   +0 :              -0.00017680596265
                   +1 :              -0.00000000000000
                   +2 :               0.00088461988232
                4d
                   -2 :               0.00048404263425
                   -1 :              -0.00000000000000
                   +0 :              -0.00021245701418
                   +1 :              -0.00000000000000
                   +2 :               0.00029894254343
                4p
                   -1 :              -0.00265692211155
                   +0 :              -0.00000000000000
                   +1 :              -0.00201983090471
              5 vec=     7.146377     -3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00120277734334
                3p
                   -1 :              -0.00013307496451
                   +0 :              -0.00000000000000
                   +1 :              -0.00044687360796
                4s
                   +0 :              -0.00447223586781
                5s
                   +0 :              -0.00100423117446
                3d
                   -2 :              -0.00296292153039
                   -1 :               0.00000000000000
                   +0 :               0.00017680596265
                   +1 :               0.00000000000000
                   +2 :              -0.00088461988232
                4d
                   -2 :              -0.00048404263425
                   -1 :               0.00000000000000
                   +0 :               0.00021245701418
                   +1 :               0.00000000000000
                   +2 :              -0.00029894254343
                4p
                   -1 :              -0.00265692211155
                   +0 :              -0.00000000000000
                   +1 :              -0.00201983090471
              6 vec=     7.146377      3.573189      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00120277734334
                3p
                   -1 :               0.00013307496451
                   +1 :              -0.00044687360796
                4s
                   +0 :              -0.00447223586781
                5s
                   +0 :              -0.00100423117446
                3d
                   -2 :               0.00296292153039
                   -1 :              -0.00000000000000
                   +0 :               0.00017680596265
                   +1 :               0.00000000000000
                   +2 :              -0.00088461988232
                4d
                   -2 :               0.00048404263425
                   -1 :              -0.00000000000000
                   +0 :               0.00021245701418
                   +1 :               0.00000000000000
                   +2 :              -0.00029894254343
                4p
                   -1 :               0.00265692211155
                   +0 :              -0.00000000000000
                   +1 :              -0.00201983090471
              7 vec=     0.000000    -10.719566      0.000000   |vec|=   10.719566
                3p
                   -1 :              -0.00000000000000
                   +1 :               0.00010264920088
                3d
                   -2 :               0.00068393085343
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00029434921569
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00108888738927
              8 vec=     0.000000     10.719566      0.000000   |vec|=   10.719566
                3p
                   -1 :              -0.00000000000000
                   +1 :               0.00010264920088
                3d
                   -2 :              -0.00068393085343
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00029434921569
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00108888738927
              9 vec=    -7.146377    -10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00002808067536
                3p
                   -1 :              -0.00004397585432
                   +0 :               0.00000000000000
                   +1 :              -0.00000474881255
                4s
                   +0 :               0.00170832149688
                5s
                   +0 :               0.00020114964138
                3d
                   -2 :              -0.00024073610125
                   -1 :               0.00000000000000
                   +0 :               0.00012295588062
                   +1 :               0.00000000000000
                   +2 :              -0.00045364615008
                4d
                   -2 :              -0.00008151036347
                   -1 :               0.00000000000000
                   +0 :              -0.00000947072673
                   +1 :               0.00000000000000
                   +2 :              -0.00013136178788
                4p
                   -1 :              -0.00119364275242
                   +0 :               0.00000000000000
                   +1 :               0.00061803801267
             10 vec=    -7.146377     10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00002808067536
                3p
                   -1 :               0.00004397585432
                   +1 :              -0.00000474881255
                4s
                   +0 :               0.00170832149688
                5s
                   +0 :               0.00020114964138
                3d
                   -2 :               0.00024073610125
                   -1 :               0.00000000000000
                   +0 :               0.00012295588062
                   +1 :               0.00000000000000
                   +2 :              -0.00045364615008
                4d
                   -2 :               0.00008151036347
                   -1 :               0.00000000000000
                   +0 :              -0.00000947072673
                   +1 :               0.00000000000000
                   +2 :              -0.00013136178788
                4p
                   -1 :               0.00119364275242
                   +0 :              -0.00000000000000
                   +1 :               0.00061803801267
             11 vec=     7.146377    -10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00002808067536
                3p
                   -1 :               0.00004397585432
                   +0 :               0.00000000000000
                   +1 :              -0.00000474881255
                4s
                   +0 :              -0.00170832149688
                5s
                   +0 :              -0.00020114964138
                3d
                   -2 :              -0.00024073610125
                   -1 :              -0.00000000000000
                   +0 :              -0.00012295588062
                   +1 :              -0.00000000000000
                   +2 :               0.00045364615008
                4d
                   -2 :              -0.00008151036347
                   -1 :              -0.00000000000000
                   +0 :               0.00000947072673
                   +1 :              -0.00000000000000
                   +2 :               0.00013136178788
                4p
                   -1 :               0.00119364275242
                   +1 :               0.00061803801267
             12 vec=     7.146377     10.719566      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00002808067536
                3p
                   -1 :              -0.00004397585432
                   +0 :               0.00000000000000
                   +1 :              -0.00000474881255
                4s
                   +0 :              -0.00170832149688
                5s
                   +0 :              -0.00020114964138
                3d
                   -2 :               0.00024073610125
                   -1 :              -0.00000000000000
                   +0 :              -0.00012295588062
                   +1 :              -0.00000000000000
                   +2 :               0.00045364615008
                4d
                   -2 :               0.00008151036347
                   -1 :              -0.00000000000000
                   +0 :               0.00000947072673
                   +1 :              -0.00000000000000
                   +2 :               0.00013136178788
                4p
                   -1 :              -0.00119364275242
                   +0 :              -0.00000000000000
                   +1 :               0.00061803801267
             13 vec=    -3.573189      0.000000    -12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00061217606405
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00042578716691
                   +1 :               0.00006755202201
                4s
                   +0 :              -0.00100968445350
                5s
                   +0 :               0.00086392961712
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00198754266458
                   +1 :               0.00068468544765
                   +2 :              -0.00024487877952
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00026616326642
                   +1 :               0.00015701704621
                   +2 :              -0.00004440180592
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00209036459852
                   +1 :              -0.00006484104758
             14 vec=    -3.573189      0.000000     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00061217606405
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00042578716691
                   +1 :               0.00006755202201
                4s
                   +0 :              -0.00100968445350
                5s
                   +0 :               0.00086392961712
                3d
                   -1 :              -0.00000000000000
                   +0 :               0.00198754266458
                   +1 :              -0.00068468544765
                   +2 :              -0.00024487877952
                4d
                   -1 :              -0.00000000000000
                   +0 :               0.00026616326642
                   +1 :              -0.00015701704621
                   +2 :              -0.00004440180592
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00209036459852
                   +1 :              -0.00006484104758
             15 vec=     3.573189      0.000000    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00061217606405
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00042578716691
                   +1 :               0.00006755202201
                4s
                   +0 :               0.00100968445350
                5s
                   +0 :              -0.00086392961712
                3d
                   -1 :               0.00000000000000
                   +0 :              -0.00198754266458
                   +1 :               0.00068468544765
                   +2 :               0.00024487877952
                4d
                   -1 :               0.00000000000000
                   +0 :              -0.00026616326642
                   +1 :               0.00015701704621
                   +2 :               0.00004440180592
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00209036459852
                   +1 :              -0.00006484104758
             16 vec=     3.573189      0.000000     12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00061217606405
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00042578716691
                   +1 :               0.00006755202201
                4s
                   +0 :               0.00100968445350
                5s
                   +0 :              -0.00086392961712
                3d
                   -1 :              -0.00000000000000
                   +0 :              -0.00198754266458
                   +1 :              -0.00068468544765
                   +2 :               0.00024487877952
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00026616326642
                   +1 :              -0.00015701704621
                   +2 :               0.00004440180592
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00209036459852
                   +1 :              -0.00006484104758
             17 vec=   -14.292755     -3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00009365397597
                3p
                   -1 :               0.00004547468112
                   +1 :              -0.00005363369539
                4s
                   +0 :              -0.00039756537273
                5s
                   +0 :               0.00024528496137
                3d
                   -2 :               0.00021066385788
                   -1 :              -0.00000000000000
                   +0 :              -0.00003066745505
                   +1 :               0.00000000000000
                   +2 :               0.00007982609889
                4d
                   -2 :              -0.00001037213154
                   -1 :              -0.00000000000000
                   +0 :               0.00002012389586
                   +1 :              -0.00000000000000
                   +2 :              -0.00005500761624
                4p
                   -1 :              -0.00006173204316
                   +0 :              -0.00000000000000
                   +1 :               0.00007861283856
             18 vec=   -14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00009365397597
                3p
                   -1 :              -0.00004547468112
                   +0 :              -0.00000000000000
                   +1 :              -0.00005363369539
                4s
                   +0 :              -0.00039756537273
                5s
                   +0 :               0.00024528496137
                3d
                   -2 :              -0.00021066385788
                   -1 :               0.00000000000000
                   +0 :              -0.00003066745505
                   +1 :              -0.00000000000000
                   +2 :               0.00007982609889
                4d
                   -2 :               0.00001037213154
                   -1 :              -0.00000000000000
                   +0 :               0.00002012389586
                   +1 :              -0.00000000000000
                   +2 :              -0.00005500761624
                4p
                   -1 :               0.00006173204316
                   +1 :               0.00007861283856
             19 vec=    14.292755     -3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00009365397597
                3p
                   -1 :              -0.00004547468112
                   +1 :              -0.00005363369539
                4s
                   +0 :               0.00039756537273
                5s
                   +0 :              -0.00024528496137
                3d
                   -2 :               0.00021066385788
                   -1 :              -0.00000000000000
                   +0 :               0.00003066745505
                   +1 :               0.00000000000000
                   +2 :              -0.00007982609889
                4d
                   -2 :              -0.00001037213154
                   -1 :               0.00000000000000
                   +0 :              -0.00002012389586
                   +1 :               0.00000000000000
                   +2 :               0.00005500761624
                4p
                   -1 :               0.00006173204316
                   +1 :               0.00007861283856
             20 vec=    14.292755      3.573189      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00009365397597
                3p
                   -1 :               0.00004547468112
                   +0 :               0.00000000000000
                   +1 :              -0.00005363369539
                4s
                   +0 :               0.00039756537273
                5s
                   +0 :              -0.00024528496137
                3d
                   -2 :              -0.00021066385788
                   -1 :               0.00000000000000
                   +0 :               0.00003066745505
                   +1 :              -0.00000000000000
                   +2 :              -0.00007982609889
                4d
                   -2 :               0.00001037213154
                   +0 :              -0.00002012389586
                   +1 :               0.00000000000000
                   +2 :               0.00005500761624
                4p
                   -1 :              -0.00006173204316
                   +0 :               0.00000000000000
                   +1 :               0.00007861283856
             21 vec=    -3.573189     -7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :               0.00001150539894
                   +0 :              -0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :              -0.00027158905907
                   +0 :               0.00011329301017
                   +1 :              -0.00010023234541
                   +2 :              -0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :              -0.00005585743608
                   +0 :              -0.00002426948442
                   +1 :              -0.00002366341984
                   +2 :              -0.00001820171566
                4p
                   -1 :              -0.00036014913926
                   +0 :               0.00017612950820
                   +1 :               0.00005745672341
             22 vec=    -3.573189     -7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :               0.00001150539894
                   +0 :               0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :               0.00027158905907
                   +0 :               0.00011329301017
                   +1 :               0.00010023234541
                   +2 :              -0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :               0.00005585743608
                   +0 :              -0.00002426948442
                   +1 :               0.00002366341984
                   +2 :              -0.00001820171566
                4p
                   -1 :              -0.00036014913926
                   +0 :              -0.00017612950820
                   +1 :               0.00005745672341
             23 vec=    -3.573189      7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :              -0.00001150539894
                   +0 :              -0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :               0.00027158905907
                   +0 :               0.00011329301017
                   +1 :              -0.00010023234541
                   +2 :              -0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :               0.00005585743608
                   +0 :              -0.00002426948442
                   +1 :              -0.00002366341984
                   +2 :              -0.00001820171566
                4p
                   -1 :               0.00036014913926
                   +0 :               0.00017612950820
                   +1 :               0.00005745672341
             24 vec=    -3.573189      7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :              -0.00001150539894
                   +0 :               0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :              -0.00027158905907
                   +0 :               0.00011329301017
                   +1 :               0.00010023234541
                   +2 :              -0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :              -0.00005585743608
                   +0 :              -0.00002426948442
                   +1 :               0.00002366341984
                   +2 :              -0.00001820171566
                4p
                   -1 :               0.00036014913926
                   +0 :              -0.00017612950820
                   +1 :               0.00005745672341
             25 vec=     3.573189     -7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :              -0.00001150539894
                   +0 :               0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :               0.00027158905907
                   +0 :              -0.00011329301017
                   +1 :              -0.00010023234541
                   +2 :               0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :               0.00005585743608
                   +0 :               0.00002426948442
                   +1 :              -0.00002366341984
                   +2 :               0.00001820171566
                4p
                   -1 :               0.00036014913926
                   +0 :              -0.00017612950820
                   +1 :               0.00005745672341
             26 vec=     3.573189     -7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :              -0.00001150539894
                   +0 :              -0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :              -0.00027158905907
                   +0 :              -0.00011329301017
                   +1 :               0.00010023234541
                   +2 :               0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :              -0.00005585743608
                   +0 :               0.00002426948442
                   +1 :               0.00002366341984
                   +2 :               0.00001820171566
                4p
                   -1 :               0.00036014913926
                   +0 :               0.00017612950820
                   +1 :               0.00005745672341
             27 vec=     3.573189      7.146377    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :               0.00001150539894
                   +0 :               0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :              -0.00027158905907
                   +0 :              -0.00011329301017
                   +1 :              -0.00010023234541
                   +2 :               0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :              -0.00005585743608
                   +0 :               0.00002426948442
                   +1 :              -0.00002366341984
                   +2 :               0.00001820171566
                4p
                   -1 :              -0.00036014913926
                   +0 :              -0.00017612950820
                   +1 :               0.00005745672341
             28 vec=     3.573189      7.146377     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :               0.00001150539894
                   +0 :              -0.00001014435708
                   +1 :              -0.00002941503838
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :               0.00027158905907
                   +0 :              -0.00011329301017
                   +1 :               0.00010023234541
                   +2 :               0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :               0.00005585743608
                   +0 :               0.00002426948442
                   +1 :               0.00002366341984
                   +2 :               0.00001820171566
                4p
                   -1 :              -0.00036014913926
                   +0 :               0.00017612950820
                   +1 :               0.00005745672341
             29 vec=   -10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00030975346180
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00007135905906
                   +1 :               0.00002404186206
                4s
                   +0 :               0.00162716181626
                5s
                   +0 :              -0.00036284342865
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002842075017
                   +1 :              -0.00020045236437
                   +2 :               0.00011489420607
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00003863314524
                   +1 :              -0.00000103011986
                   +2 :               0.00000456470108
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007851614204
                   +1 :              -0.00043081801543
             30 vec=   -10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00030975346180
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007135905906
                   +1 :               0.00002404186206
                4s
                   +0 :               0.00162716181626
                5s
                   +0 :              -0.00036284342865
                3d
                   -1 :               0.00000000000000
                   +0 :               0.00002842075017
                   +1 :               0.00020045236437
                   +2 :               0.00011489420607
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003863314524
                   +1 :               0.00000103011986
                   +2 :               0.00000456470108
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00007851614204
                   +1 :              -0.00043081801543
             31 vec=    10.719566      0.000000    -12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00030975346180
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007135905906
                   +1 :               0.00002404186206
                4s
                   +0 :              -0.00162716181626
                5s
                   +0 :               0.00036284342865
                3d
                   -1 :              -0.00000000000000
                   +0 :              -0.00002842075017
                   +1 :              -0.00020045236437
                   +2 :              -0.00011489420607
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00003863314524
                   +1 :              -0.00000103011986
                   +2 :              -0.00000456470108
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00007851614204
                   +1 :              -0.00043081801543
             32 vec=    10.719566      0.000000     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00030975346180
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00007135905906
                   +1 :               0.00002404186206
                4s
                   +0 :              -0.00162716181626
                5s
                   +0 :               0.00036284342865
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002842075017
                   +1 :               0.00020045236437
                   +2 :              -0.00011489420607
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003863314524
                   +1 :               0.00000103011986
                   +2 :              -0.00000456470108
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00007851614204
                   +1 :              -0.00043081801543
             33 vec=   -14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000252586380
                3p
                   -1 :               0.00004436736859
                   +0 :              -0.00000000000000
                   +1 :               0.00002608213655
                4s
                   +0 :              -0.00011221778958
                5s
                   +0 :               0.00038709018249
                3d
                   -2 :               0.00004317729265
                   -1 :               0.00000000000000
                   +0 :               0.00008782421092
                   +1 :              -0.00000000000000
                   +2 :               0.00008489454909
                4d
                   -2 :              -0.00002281637148
                   +0 :               0.00002839719460
                   +1 :               0.00000000000000
                   +2 :               0.00002533532277
                4p
                   -1 :               0.00006471181356
                   +1 :              -0.00028443792945
             34 vec=   -14.292755     10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000252586380
                3p
                   -1 :              -0.00004436736859
                   +1 :               0.00002608213655
                4s
                   +0 :              -0.00011221778958
                5s
                   +0 :               0.00038709018249
                3d
                   -2 :              -0.00004317729265
                   -1 :               0.00000000000000
                   +0 :               0.00008782421092
                   +1 :              -0.00000000000000
                   +2 :               0.00008489454909
                4d
                   -2 :               0.00002281637148
                   -1 :               0.00000000000000
                   +0 :               0.00002839719460
                   +1 :               0.00000000000000
                   +2 :               0.00002533532277
                4p
                   -1 :              -0.00006471181356
                   +1 :              -0.00028443792945
             35 vec=     0.000000    -17.865943      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000707317421
                3d
                   -2 :              -0.00004566993337
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000036454992
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004595625554
             36 vec=     0.000000     17.865943      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000707317421
                3d
                   -2 :               0.00004566993337
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000036454992
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004595625554
             37 vec=    14.292755    -10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000252586380
                3p
                   -1 :              -0.00004436736859
                   +1 :               0.00002608213655
                4s
                   +0 :               0.00011221778958
                5s
                   +0 :              -0.00038709018249
                3d
                   -2 :               0.00004317729265
                   -1 :              -0.00000000000000
                   +0 :              -0.00008782421092
                   +1 :               0.00000000000000
                   +2 :              -0.00008489454909
                4d
                   -2 :              -0.00002281637148
                   -1 :              -0.00000000000000
                   +0 :              -0.00002839719460
                   +1 :              -0.00000000000000
                   +2 :              -0.00002533532277
                4p
                   -1 :              -0.00006471181356
                   +0 :               0.00000000000000
                   +1 :              -0.00028443792945
             38 vec=    14.292755     10.719566      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000252586380
                3p
                   -1 :               0.00004436736859
                   +0 :               0.00000000000000
                   +1 :               0.00002608213655
                4s
                   +0 :               0.00011221778958
                5s
                   +0 :              -0.00038709018249
                3d
                   -2 :              -0.00004317729265
                   -1 :              -0.00000000000000
                   +0 :              -0.00008782421092
                   +1 :               0.00000000000000
                   +2 :              -0.00008489454909
                4d
                   -2 :               0.00002281637148
                   +0 :              -0.00002839719460
                   +1 :              -0.00000000000000
                   +2 :              -0.00002533532277
                4p
                   -1 :               0.00006471181356
                   +0 :              -0.00000000000000
                   +1 :              -0.00028443792945
             39 vec=   -10.719566     -7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :               0.00001141463678
                   +0 :               0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :               0.00001204981219
                   +0 :              -0.00002965549698
                   +1 :               0.00002173749794
                   +2 :               0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :              -0.00004700182035
                   +0 :               0.00000610381484
                   +1 :              -0.00002773024760
                   +2 :               0.00000878182830
                4p
                   -1 :               0.00004825150323
                   +0 :              -0.00002539083207
                   +1 :               0.00001625926882
             40 vec=   -10.719566     -7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :               0.00001141463678
                   +0 :              -0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :              -0.00001204981219
                   +0 :              -0.00002965549698
                   +1 :              -0.00002173749794
                   +2 :               0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :               0.00004700182035
                   +0 :               0.00000610381484
                   +1 :               0.00002773024760
                   +2 :               0.00000878182830
                4p
                   -1 :               0.00004825150323
                   +0 :               0.00002539083207
                   +1 :               0.00001625926882
             41 vec=   -10.719566      7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :              -0.00001141463678
                   +0 :               0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :              -0.00001204981219
                   +0 :              -0.00002965549698
                   +1 :               0.00002173749794
                   +2 :               0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :               0.00004700182035
                   +0 :               0.00000610381484
                   +1 :              -0.00002773024760
                   +2 :               0.00000878182830
                4p
                   -1 :              -0.00004825150323
                   +0 :              -0.00002539083207
                   +1 :               0.00001625926882
             42 vec=   -10.719566      7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :              -0.00001141463678
                   +0 :              -0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :               0.00001204981219
                   +0 :              -0.00002965549698
                   +1 :              -0.00002173749794
                   +2 :               0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :              -0.00004700182035
                   +0 :               0.00000610381484
                   +1 :               0.00002773024760
                   +2 :               0.00000878182830
                4p
                   -1 :              -0.00004825150323
                   +0 :               0.00002539083207
                   +1 :               0.00001625926882
             43 vec=    10.719566     -7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :              -0.00001141463678
                   +0 :              -0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :              -0.00001204981219
                   +0 :               0.00002965549698
                   +1 :               0.00002173749794
                   +2 :              -0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :               0.00004700182035
                   +0 :              -0.00000610381484
                   +1 :              -0.00002773024760
                   +2 :              -0.00000878182830
                4p
                   -1 :              -0.00004825150323
                   +0 :               0.00002539083207
                   +1 :               0.00001625926882
             44 vec=    10.719566     -7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :              -0.00001141463678
                   +0 :               0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :               0.00001204981219
                   +0 :               0.00002965549698
                   +1 :              -0.00002173749794
                   +2 :              -0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :              -0.00004700182035
                   +0 :              -0.00000610381484
                   +1 :               0.00002773024760
                   +2 :              -0.00000878182830
                4p
                   -1 :              -0.00004825150323
                   +0 :              -0.00002539083207
                   +1 :               0.00001625926882
             45 vec=    10.719566      7.146377    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :               0.00001141463678
                   +0 :              -0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :               0.00001204981219
                   +0 :               0.00002965549698
                   +1 :               0.00002173749794
                   +2 :              -0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :              -0.00004700182035
                   +0 :              -0.00000610381484
                   +1 :              -0.00002773024760
                   +2 :              -0.00000878182830
                4p
                   -1 :               0.00004825150323
                   +0 :               0.00002539083207
                   +1 :               0.00001625926882
             46 vec=    10.719566      7.146377     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :               0.00001141463678
                   +0 :               0.00003464039020
                   +1 :               0.00002581493387
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :              -0.00001204981219
                   +0 :               0.00002965549698
                   +1 :              -0.00002173749794
                   +2 :              -0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :               0.00004700182035
                   +0 :              -0.00000610381484
                   +1 :               0.00002773024760
                   +2 :              -0.00000878182830
                4p
                   -1 :               0.00004825150323
                   +0 :              -0.00002539083207
                   +1 :               0.00001625926882
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site O (  4)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.93834854686681
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.07872435566033
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00038741433632
                2s
                   +0 :               0.00854042994979
                3s
                   +0 :              -0.00086988255143
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00238767148824
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00076547772893
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00006148276416
                   +1 :              -0.00000000000000
                   +2 :               0.00055165255880
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00343283901656
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00014898376028
                3d
                   -2 :               0.00120829647027
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00343283901656
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00014898376028
                3d
                   -2 :              -0.00120829647027
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00038741433632
                2s
                   +0 :              -0.00854042994979
                3s
                   +0 :               0.00086988255143
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00238767148824
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00076547772893
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00006148276416
                   +1 :               0.00000000000000
                   +2 :              -0.00055165255880
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00039317944757
                2s
                   +0 :              -0.00536952612404
                3s
                   +0 :               0.00063670133642
                2p
                   -1 :               0.00427272256578
                   +1 :               0.00292295336453
                3p
                   -1 :              -0.00014000892689
                   +0 :               0.00000000000000
                   +1 :              -0.00021069563093
                3d
                   -2 :              -0.00023626166300
                   -1 :               0.00000000000000
                   +0 :               0.00011727540056
                   +1 :               0.00000000000000
                   +2 :               0.00003088460459
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00039317944757
                2s
                   +0 :              -0.00536952612404
                3s
                   +0 :               0.00063670133642
                2p
                   -1 :              -0.00427272256578
                   +1 :               0.00292295336453
                3p
                   -1 :               0.00014000892689
                   +1 :              -0.00021069563093
                3d
                   -2 :               0.00023626166300
                   -1 :              -0.00000000000000
                   +0 :               0.00011727540056
                   +1 :               0.00000000000000
                   +2 :               0.00003088460459
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00039317944757
                2s
                   +0 :               0.00536952612404
                3s
                   +0 :              -0.00063670133642
                2p
                   -1 :              -0.00427272256578
                   +1 :               0.00292295336453
                3p
                   -1 :               0.00014000892689
                   +0 :              -0.00000000000000
                   +1 :              -0.00021069563093
                3d
                   -2 :              -0.00023626166300
                   -1 :               0.00000000000000
                   +0 :              -0.00011727540056
                   +1 :              -0.00000000000000
                   +2 :              -0.00003088460459
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00039317944757
                2s
                   +0 :               0.00536952612404
                3s
                   +0 :              -0.00063670133642
                2p
                   -1 :               0.00427272256578
                   +1 :               0.00292295336453
                3p
                   -1 :              -0.00014000892689
                   +0 :               0.00000000000000
                   +1 :              -0.00021069563093
                3d
                   -2 :               0.00023626166300
                   -1 :              -0.00000000000000
                   +0 :              -0.00011727540056
                   +1 :              -0.00000000000000
                   +2 :              -0.00003088460459
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :               0.00068604265678
                   +0 :               0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :               0.00028603368090
                   +0 :              -0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :               0.00001147503798
                   -1 :              -0.00009348663150
                   +0 :              -0.00002570621475
                   +1 :              -0.00002942130955
                   +2 :               0.00004344131783
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :               0.00068604265678
                   +0 :              -0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :               0.00028603368090
                   +0 :               0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :               0.00001147503798
                   -1 :               0.00009348663150
                   +0 :              -0.00002570621475
                   +1 :               0.00002942130955
                   +2 :               0.00004344131783
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :              -0.00068604265678
                   +0 :               0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :              -0.00028603368090
                   +0 :              -0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :              -0.00001147503798
                   -1 :               0.00009348663150
                   +0 :              -0.00002570621475
                   +1 :              -0.00002942130955
                   +2 :               0.00004344131783
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :              -0.00068604265678
                   +0 :              -0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :              -0.00028603368090
                   +0 :               0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :              -0.00001147503798
                   -1 :              -0.00009348663150
                   +0 :              -0.00002570621475
                   +1 :               0.00002942130955
                   +2 :               0.00004344131783
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :              -0.00068604265678
                   +0 :              -0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :              -0.00028603368090
                   +0 :               0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :               0.00001147503798
                   -1 :               0.00009348663150
                   +0 :               0.00002570621475
                   +1 :              -0.00002942130955
                   +2 :              -0.00004344131783
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :              -0.00068604265678
                   +0 :               0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :              -0.00028603368090
                   +0 :              -0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :               0.00001147503798
                   -1 :              -0.00009348663150
                   +0 :               0.00002570621475
                   +1 :               0.00002942130955
                   +2 :              -0.00004344131783
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :               0.00068604265678
                   +0 :              -0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :               0.00028603368090
                   +0 :               0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :              -0.00001147503798
                   -1 :              -0.00009348663150
                   +0 :               0.00002570621475
                   +1 :              -0.00002942130955
                   +2 :              -0.00004344131783
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :               0.00068604265678
                   +0 :               0.00115858850346
                   +1 :              -0.00025366035614
                3p
                   -1 :               0.00028603368090
                   +0 :              -0.00014818295708
                   +1 :               0.00009052339753
                3d
                   -2 :              -0.00001147503798
                   -1 :               0.00009348663150
                   +0 :               0.00002570621475
                   +1 :               0.00002942130955
                   +2 :              -0.00004344131783
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00002652840838
                2s
                   +0 :              -0.00083647163169
                3s
                   +0 :               0.00054043315752
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00099582530501
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00065573240462
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00010301403465
                   +1 :              -0.00000000000000
                   +2 :               0.00003951274207
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +1 :               0.00015407656110
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004788331785
                3d
                   -2 :              -0.00001879707707
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +1 :               0.00015407656110
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004788331785
                3d
                   -2 :               0.00001879707707
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00002652840838
                2s
                   +0 :               0.00083647163169
                3s
                   +0 :              -0.00054043315752
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00099582530501
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00065573240462
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00010301403465
                   +1 :               0.00000000000000
                   +2 :              -0.00003951274207
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001749406316
                2s
                   +0 :              -0.00003296686054
                3s
                   +0 :               0.00008881887880
                2p
                   -1 :              -0.00036729265767
                   +0 :              -0.00000000000000
                   +1 :               0.00032507961496
                3p
                   -1 :               0.00010019837716
                   +1 :              -0.00026466642651
                3d
                   -2 :              -0.00000053382847
                   -1 :               0.00000000000000
                   +0 :               0.00001847612706
                   +1 :               0.00000000000000
                   +2 :               0.00003009806867
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001749406316
                2s
                   +0 :              -0.00003296686054
                3s
                   +0 :               0.00008881887880
                2p
                   -1 :               0.00036729265767
                   +0 :               0.00000000000000
                   +1 :               0.00032507961496
                3p
                   -1 :              -0.00010019837716
                   +0 :              -0.00000000000000
                   +1 :              -0.00026466642651
                3d
                   -2 :               0.00000053382847
                   -1 :              -0.00000000000000
                   +0 :               0.00001847612706
                   +1 :              -0.00000000000000
                   +2 :               0.00003009806867
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00003821623346
                2s
                   +0 :               0.00035834187527
                3s
                   +0 :              -0.00013022899632
                2p
                   -1 :               0.00010582183112
                   +0 :              -0.00000000000000
                   +1 :              -0.00023710933330
                3p
                   -1 :              -0.00001025425393
                   +0 :              -0.00000000000000
                   +1 :               0.00003659182830
                3d
                   -2 :               0.00001843471282
                   -1 :              -0.00000000000000
                   +0 :              -0.00000578249626
                   +1 :               0.00000000000000
                   +2 :               0.00000289350935
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00003821623346
                2s
                   +0 :               0.00035834187527
                3s
                   +0 :              -0.00013022899632
                2p
                   -1 :              -0.00010582183112
                   +0 :              -0.00000000000000
                   +1 :              -0.00023710933330
                3p
                   -1 :               0.00001025425393
                   +0 :               0.00000000000000
                   +1 :               0.00003659182830
                3d
                   -2 :              -0.00001843471282
                   -1 :              -0.00000000000000
                   +0 :              -0.00000578249626
                   +1 :              -0.00000000000000
                   +2 :               0.00000289350935
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00003821623346
                2s
                   +0 :              -0.00035834187527
                3s
                   +0 :               0.00013022899632
                2p
                   -1 :              -0.00010582183112
                   +0 :               0.00000000000000
                   +1 :              -0.00023710933330
                3p
                   -1 :               0.00001025425393
                   +0 :              -0.00000000000000
                   +1 :               0.00003659182830
                3d
                   -2 :               0.00001843471282
                   -1 :               0.00000000000000
                   +0 :               0.00000578249626
                   +1 :               0.00000000000000
                   +2 :              -0.00000289350935
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00003821623346
                2s
                   +0 :              -0.00035834187527
                3s
                   +0 :               0.00013022899632
                2p
                   -1 :               0.00010582183112
                   +0 :              -0.00000000000000
                   +1 :              -0.00023710933330
                3p
                   -1 :              -0.00001025425393
                   +1 :               0.00003659182830
                3d
                   -2 :              -0.00001843471282
                   -1 :               0.00000000000000
                   +0 :               0.00000578249626
                   +1 :              -0.00000000000000
                   +2 :              -0.00000289350935
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001749406316
                2s
                   +0 :               0.00003296686054
                3s
                   +0 :              -0.00008881887880
                2p
                   -1 :               0.00036729265767
                   +0 :               0.00000000000000
                   +1 :               0.00032507961496
                3p
                   -1 :              -0.00010019837716
                   +0 :              -0.00000000000000
                   +1 :              -0.00026466642651
                3d
                   -2 :              -0.00000053382847
                   -1 :               0.00000000000000
                   +0 :              -0.00001847612706
                   +1 :               0.00000000000000
                   +2 :              -0.00003009806867
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001749406316
                2s
                   +0 :               0.00003296686054
                3s
                   +0 :              -0.00008881887880
                2p
                   -1 :              -0.00036729265767
                   +0 :              -0.00000000000000
                   +1 :               0.00032507961496
                3p
                   -1 :               0.00010019837716
                   +1 :              -0.00026466642651
                3d
                   -2 :               0.00000053382847
                   -1 :              -0.00000000000000
                   +0 :              -0.00001847612706
                   +1 :              -0.00000000000000
                   +2 :              -0.00003009806867
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :               0.00032256070433
                   +0 :               0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :              -0.00016309736169
                   +0 :              -0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :              -0.00002415481177
                   -1 :              -0.00001527364066
                   +0 :               0.00000759585646
                   +1 :               0.00007230748418
                   +2 :               0.00003499918407
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :               0.00032256070433
                   +0 :              -0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :              -0.00016309736169
                   +0 :               0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :              -0.00002415481177
                   -1 :               0.00001527364066
                   +0 :               0.00000759585646
                   +1 :              -0.00007230748418
                   +2 :               0.00003499918407
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :              -0.00032256070434
                   +0 :               0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :               0.00016309736169
                   +0 :              -0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :               0.00002415481177
                   -1 :               0.00001527364066
                   +0 :               0.00000759585646
                   +1 :               0.00007230748418
                   +2 :               0.00003499918407
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :              -0.00032256070434
                   +0 :              -0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :               0.00016309736169
                   +0 :               0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :               0.00002415481177
                   -1 :              -0.00001527364066
                   +0 :               0.00000759585646
                   +1 :              -0.00007230748418
                   +2 :               0.00003499918407
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :              -0.00001457549388
                   +0 :               0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :               0.00003624538609
                   +0 :              -0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :              -0.00000289422736
                   -1 :               0.00000493852595
                   +0 :              -0.00000483639726
                   +1 :              -0.00001450785180
                   +2 :              -0.00000594338574
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :              -0.00001457549388
                   +0 :              -0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :               0.00003624538609
                   +0 :               0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :              -0.00000289422736
                   -1 :              -0.00000493852595
                   +0 :              -0.00000483639726
                   +1 :               0.00001450785180
                   +2 :              -0.00000594338574
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :               0.00001457549388
                   +0 :               0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :              -0.00003624538609
                   +0 :              -0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :               0.00000289422736
                   -1 :              -0.00000493852595
                   +0 :              -0.00000483639726
                   +1 :              -0.00001450785180
                   +2 :              -0.00000594338574
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :               0.00001457549388
                   +0 :              -0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :              -0.00003624538609
                   +0 :               0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :               0.00000289422736
                   -1 :               0.00000493852595
                   +0 :              -0.00000483639726
                   +1 :               0.00001450785180
                   +2 :              -0.00000594338574
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :               0.00001457549388
                   +0 :              -0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :              -0.00003624538609
                   +0 :               0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :              -0.00000289422736
                   -1 :              -0.00000493852595
                   +0 :               0.00000483639726
                   +1 :              -0.00001450785180
                   +2 :               0.00000594338574
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :               0.00001457549388
                   +0 :               0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :              -0.00003624538609
                   +0 :              -0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :              -0.00000289422736
                   -1 :               0.00000493852595
                   +0 :               0.00000483639726
                   +1 :               0.00001450785180
                   +2 :               0.00000594338574
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :              -0.00001457549388
                   +0 :              -0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :               0.00003624538609
                   +0 :               0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :               0.00000289422736
                   -1 :               0.00000493852595
                   +0 :               0.00000483639726
                   +1 :              -0.00001450785180
                   +2 :               0.00000594338574
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :              -0.00001457549388
                   +0 :               0.00001158789204
                   +1 :              -0.00011289433481
                3p
                   -1 :               0.00003624538609
                   +0 :              -0.00001247308065
                   +1 :               0.00005430548895
                3d
                   -2 :               0.00000289422736
                   -1 :              -0.00000493852595
                   +0 :               0.00000483639726
                   +1 :               0.00001450785180
                   +2 :               0.00000594338574
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :              -0.00032256070434
                   +0 :              -0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :               0.00016309736169
                   +0 :               0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :              -0.00002415481177
                   -1 :               0.00001527364066
                   +0 :              -0.00000759585646
                   +1 :               0.00007230748418
                   +2 :              -0.00003499918407
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :              -0.00032256070434
                   +0 :               0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :               0.00016309736169
                   +0 :              -0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :              -0.00002415481177
                   -1 :              -0.00001527364066
                   +0 :              -0.00000759585646
                   +1 :              -0.00007230748418
                   +2 :              -0.00003499918407
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :               0.00032256070433
                   +0 :              -0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :              -0.00016309736169
                   +0 :               0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :               0.00002415481177
                   -1 :              -0.00001527364066
                   +0 :              -0.00000759585646
                   +1 :               0.00007230748418
                   +2 :              -0.00003499918407
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :               0.00032256070433
                   +0 :               0.00035197159744
                   +1 :               0.00033804570911
                3p
                   -1 :              -0.00016309736169
                   +0 :              -0.00029657729358
                   +1 :              -0.00028759302340
                3d
                   -2 :               0.00002415481177
                   -1 :               0.00001527364066
                   +0 :              -0.00000759585646
                   +1 :              -0.00007230748418
                   +2 :              -0.00003499918407
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site O (  5)  npairs=  34
              1 vec=    -3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00260800321769
                2s
                   +0 :              -0.04755957269383
                3s
                   +0 :               0.00716808020829
                2p
                   -1 :               0.02747710540974
                   +0 :               0.00000000000000
                   +1 :               0.03098952067701
                3p
                   -1 :              -0.00477938713041
                   +1 :              -0.00633906403385
                3d
                   -2 :              -0.00165180018913
                   -1 :               0.00000000000000
                   +0 :               0.00163826158610
                   +1 :               0.00000000000000
                   +2 :               0.00125252917767
              2 vec=    -3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00260800321769
                2s
                   +0 :              -0.04755957269383
                3s
                   +0 :               0.00716808020829
                2p
                   -1 :              -0.02747710540974
                   +1 :               0.03098952067701
                3p
                   -1 :               0.00477938713041
                   +0 :               0.00000000000000
                   +1 :              -0.00633906403385
                3d
                   -2 :               0.00165180018913
                   -1 :              -0.00000000000000
                   +0 :               0.00163826158610
                   +1 :               0.00000000000000
                   +2 :               0.00125252917767
              3 vec=     3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00260800321769
                2s
                   +0 :               0.04755957269383
                3s
                   +0 :              -0.00716808020829
                2p
                   -1 :              -0.02747710540974
                   +0 :               0.00000000000000
                   +1 :               0.03098952067701
                3p
                   -1 :               0.00477938713041
                   +0 :               0.00000000000000
                   +1 :              -0.00633906403385
                3d
                   -2 :              -0.00165180018913
                   -1 :               0.00000000000000
                   +0 :              -0.00163826158610
                   +1 :              -0.00000000000000
                   +2 :              -0.00125252917767
              4 vec=     3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00260800321769
                2s
                   +0 :               0.04755957269383
                3s
                   +0 :              -0.00716808020829
                2p
                   -1 :               0.02747710540974
                   +0 :               0.00000000000000
                   +1 :               0.03098952067701
                3p
                   -1 :              -0.00477938713041
                   +0 :               0.00000000000000
                   +1 :              -0.00633906403385
                3d
                   -2 :               0.00165180018913
                   -1 :              -0.00000000000000
                   +0 :              -0.00163826158610
                   +1 :              -0.00000000000000
                   +2 :              -0.00125252917767
              5 vec=   -10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00003902369233
                2s
                   +0 :               0.00003444219295
                3s
                   +0 :              -0.00026905981057
                2p
                   -1 :              -0.00074174529234
                   +0 :               0.00000000000000
                   +1 :               0.00092468135660
                3p
                   -1 :               0.00020542931019
                   +0 :              -0.00000000000000
                   +1 :              -0.00013027194189
                3d
                   -2 :               0.00006587032792
                   -1 :              -0.00000000000000
                   +0 :              -0.00005441267439
                   +1 :               0.00000000000000
                   +2 :              -0.00005084919233
              6 vec=   -10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00003902369233
                2s
                   +0 :               0.00003444219295
                3s
                   +0 :              -0.00026905981057
                2p
                   -1 :               0.00074174529234
                   +1 :               0.00092468135660
                3p
                   -1 :              -0.00020542931019
                   +1 :              -0.00013027194189
                3d
                   -2 :              -0.00006587032792
                   -1 :               0.00000000000000
                   +0 :              -0.00005441267439
                   +1 :               0.00000000000000
                   +2 :              -0.00005084919233
              7 vec=    -3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006723194840
                2s
                   +0 :               0.00082579831430
                3s
                   +0 :              -0.00013749506012
                2p
                   -1 :              -0.00040632258169
                   +0 :               0.00000000000000
                   +1 :              -0.00109399551088
                3p
                   -1 :              -0.00030818598584
                   +0 :              -0.00000000000000
                   +1 :               0.00011634156605
                3d
                   -2 :               0.00006823090839
                   -1 :               0.00000000000000
                   +0 :              -0.00003465360377
                   +1 :              -0.00000000000000
                   +2 :              -0.00009908640311
              8 vec=    -3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006723194840
                2s
                   +0 :               0.00082579831430
                3s
                   +0 :              -0.00013749506012
                2p
                   -1 :               0.00040632258169
                   +0 :               0.00000000000000
                   +1 :              -0.00109399551088
                3p
                   -1 :               0.00030818598584
                   +1 :               0.00011634156605
                3d
                   -2 :              -0.00006823090839
                   -1 :               0.00000000000000
                   +0 :              -0.00003465360377
                   +1 :              -0.00000000000000
                   +2 :              -0.00009908640311
              9 vec=     3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006723194840
                2s
                   +0 :              -0.00082579831430
                3s
                   +0 :               0.00013749506012
                2p
                   -1 :               0.00040632258169
                   +0 :              -0.00000000000000
                   +1 :              -0.00109399551088
                3p
                   -1 :               0.00030818598584
                   +1 :               0.00011634156605
                3d
                   -2 :               0.00006823090839
                   -1 :              -0.00000000000000
                   +0 :               0.00003465360377
                   +1 :               0.00000000000000
                   +2 :               0.00009908640311
             10 vec=     3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006723194840
                2s
                   +0 :              -0.00082579831430
                3s
                   +0 :               0.00013749506012
                2p
                   -1 :              -0.00040632258169
                   +0 :               0.00000000000000
                   +1 :              -0.00109399551088
                3p
                   -1 :              -0.00030818598584
                   +0 :              -0.00000000000000
                   +1 :               0.00011634156605
                3d
                   -2 :              -0.00006823090839
                   -1 :              -0.00000000000000
                   +0 :               0.00003465360377
                   +1 :               0.00000000000000
                   +2 :               0.00009908640311
             11 vec=    10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00003902369233
                2s
                   +0 :              -0.00003444219295
                3s
                   +0 :               0.00026905981057
                2p
                   -1 :               0.00074174529234
                   +0 :               0.00000000000000
                   +1 :               0.00092468135660
                3p
                   -1 :              -0.00020542931019
                   +0 :              -0.00000000000000
                   +1 :              -0.00013027194189
                3d
                   -2 :               0.00006587032792
                   -1 :              -0.00000000000000
                   +0 :               0.00005441267439
                   +1 :              -0.00000000000000
                   +2 :               0.00005084919233
             12 vec=    10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00003902369233
                2s
                   +0 :              -0.00003444219295
                3s
                   +0 :               0.00026905981057
                2p
                   -1 :              -0.00074174529234
                   +0 :              -0.00000000000000
                   +1 :               0.00092468135660
                3p
                   -1 :               0.00020542931019
                   +0 :              -0.00000000000000
                   +1 :              -0.00013027194189
                3d
                   -2 :              -0.00006587032792
                   -1 :               0.00000000000000
                   +0 :               0.00005441267439
                   +1 :              -0.00000000000000
                   +2 :               0.00005084919233
             13 vec=     0.000000      0.000000    -12.518207   |vec|=   12.518207
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :              -0.00245896170686
                3p
                   +1 :              -0.00038160480854
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00019851754588
                   +2 :               0.00000000000000
             14 vec=     0.000000      0.000000     12.518207   |vec|=   12.518207
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :              -0.00245896170686
                3p
                   +1 :              -0.00038160480854
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :              -0.00019851754588
                   +2 :              -0.00000000000000
             15 vec=    -7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002360512987
                2s
                   +0 :              -0.00042311069472
                3s
                   +0 :              -0.00009947484025
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00100438398619
                   +1 :               0.00033182671925
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00036159873265
                   +1 :               0.00042456624415
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001962410080
                   +1 :              -0.00007426338136
                   +2 :              -0.00003210185698
             16 vec=    -7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002360512987
                2s
                   +0 :              -0.00042311069472
                3s
                   +0 :              -0.00009947484025
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00100438398619
                   +1 :               0.00033182671925
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00036159873265
                   +1 :               0.00042456624415
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001962410080
                   +1 :               0.00007426338136
                   +2 :              -0.00003210185698
             17 vec=    -0.000000     -7.146377    -12.518207   |vec|=   14.414445
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00015942022539
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000468121675
                3d
                   -2 :               0.00000987209550
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000837820701
                   +2 :              -0.00000000000000
             18 vec=     0.000000     -7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00015942022539
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000468121675
                3d
                   -2 :               0.00000987209550
                   -1 :               0.00000000000000
                   +1 :               0.00000837820701
                   +2 :               0.00000000000000
             19 vec=     0.000000      7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00015942022539
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000468121675
                3d
                   -2 :              -0.00000987209550
                   -1 :              -0.00000000000000
                   +1 :              -0.00000837820701
                   +2 :              -0.00000000000000
             20 vec=     0.000000      7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00015942022539
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000468121675
                3d
                   -2 :              -0.00000987209550
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000837820701
                   +2 :               0.00000000000000
             21 vec=     7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002360512987
                2s
                   +0 :               0.00042311069472
                3s
                   +0 :               0.00009947484025
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00100438398619
                   +1 :               0.00033182671925
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00036159873265
                   +1 :               0.00042456624415
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001962410080
                   +1 :              -0.00007426338136
                   +2 :               0.00003210185698
             22 vec=     7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002360512987
                2s
                   +0 :               0.00042311069472
                3s
                   +0 :               0.00009947484025
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00100438398619
                   +1 :               0.00033182671925
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00036159873265
                   +1 :               0.00042456624415
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001962410080
                   +1 :               0.00007426338136
                   +2 :               0.00003210185698
             23 vec=   -10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00010553174954
                2s
                   +0 :              -0.00154241195768
                3s
                   +0 :               0.00033078126036
                2p
                   -1 :               0.00099074602707
                   +0 :              -0.00000000000000
                   +1 :               0.00071484230890
                3p
                   -1 :              -0.00030780395652
                   +0 :               0.00000000000000
                   +1 :              -0.00006127045837
                3d
                   -2 :              -0.00005260697386
                   -1 :              -0.00000000000000
                   +0 :               0.00003400822184
                   +1 :              -0.00000000000000
                   +2 :              -0.00003333877628
             24 vec=   -10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00010553174954
                2s
                   +0 :              -0.00154241195768
                3s
                   +0 :               0.00033078126036
                2p
                   -1 :              -0.00099074602707
                   +0 :              -0.00000000000000
                   +1 :               0.00071484230890
                3p
                   -1 :               0.00030780395652
                   +0 :               0.00000000000000
                   +1 :              -0.00006127045837
                3d
                   -2 :               0.00005260697386
                   -1 :               0.00000000000000
                   +0 :               0.00003400822184
                   +1 :              -0.00000000000000
                   +2 :              -0.00003333877628
             25 vec=    10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00010553174954
                2s
                   +0 :               0.00154241195768
                3s
                   +0 :              -0.00033078126036
                2p
                   -1 :              -0.00099074602707
                   +0 :               0.00000000000000
                   +1 :               0.00071484230890
                3p
                   -1 :               0.00030780395652
                   +0 :               0.00000000000000
                   +1 :              -0.00006127045837
                3d
                   -2 :              -0.00005260697386
                   -1 :              -0.00000000000000
                   +0 :              -0.00003400822184
                   +1 :               0.00000000000000
                   +2 :               0.00003333877628
             26 vec=    10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00010553174954
                2s
                   +0 :               0.00154241195768
                3s
                   +0 :              -0.00033078126036
                2p
                   -1 :               0.00099074602707
                   +0 :               0.00000000000000
                   +1 :               0.00071484230890
                3p
                   -1 :              -0.00030780395652
                   +0 :              -0.00000000000000
                   +1 :              -0.00006127045837
                3d
                   -2 :               0.00005260697386
                   -1 :               0.00000000000000
                   +0 :              -0.00003400822184
                   +1 :               0.00000000000000
                   +2 :               0.00003333877628
             27 vec=    -7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :               0.00032892423329
                   +0 :               0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :              -0.00042217188828
                   +0 :              -0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :              -0.00001739053839
                   -1 :               0.00010499263897
                   +0 :               0.00003142323998
                   +1 :              -0.00001323563376
                   +2 :              -0.00005232812563
             28 vec=    -7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :               0.00032892423329
                   +0 :              -0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :              -0.00042217188828
                   +0 :               0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :              -0.00001739053839
                   -1 :              -0.00010499263897
                   +0 :               0.00003142323998
                   +1 :               0.00001323563376
                   +2 :              -0.00005232812563
             29 vec=    -7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :              -0.00032892423329
                   +0 :               0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :               0.00042217188828
                   +0 :              -0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :               0.00001739053839
                   -1 :              -0.00010499263897
                   +0 :               0.00003142323998
                   +1 :              -0.00001323563376
                   +2 :              -0.00005232812563
             30 vec=    -7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :              -0.00032892423329
                   +0 :              -0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :               0.00042217188828
                   +0 :               0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :               0.00001739053839
                   -1 :               0.00010499263897
                   +0 :               0.00003142323998
                   +1 :               0.00001323563376
                   +2 :              -0.00005232812563
             31 vec=     7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :              -0.00032892423329
                   +0 :              -0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :               0.00042217188828
                   +0 :               0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :              -0.00001739053839
                   -1 :              -0.00010499263897
                   +0 :              -0.00003142323998
                   +1 :              -0.00001323563376
                   +2 :               0.00005232812563
             32 vec=     7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :              -0.00032892423329
                   +0 :               0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :               0.00042217188828
                   +0 :              -0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :              -0.00001739053839
                   -1 :               0.00010499263897
                   +0 :              -0.00003142323998
                   +1 :               0.00001323563376
                   +2 :               0.00005232812563
             33 vec=     7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :               0.00032892423329
                   +0 :              -0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :              -0.00042217188828
                   +0 :               0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :               0.00001739053839
                   -1 :               0.00010499263897
                   +0 :              -0.00003142323998
                   +1 :              -0.00001323563376
                   +2 :               0.00005232812563
             34 vec=     7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :               0.00032892423329
                   +0 :               0.00030274895661
                   +1 :               0.00023341088524
                3p
                   -1 :              -0.00042217188828
                   +0 :              -0.00043174302557
                   +1 :              -0.00003196116389
                3d
                   -2 :               0.00001739053839
                   -1 :              -0.00010499263897
                   +0 :              -0.00003142323998
                   +1 :               0.00001323563376
                   +2 :               0.00005232812563
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site O (  6)  npairs=  34
              1 vec=     0.000000     -3.573189      4.566642   |vec|=    5.798439
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00691409663429
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00080471290557
                3d
                   -2 :              -0.00011228707065
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00003956422721
                   +2 :               0.00000000000000
              2 vec=     0.000000      3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00691409663429
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00080471290557
                3d
                   -2 :               0.00011228707065
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003956422721
                   +2 :              -0.00000000000000
              3 vec=    -3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00129164601058
                2s
                   +0 :              -0.02558196854282
                3s
                   +0 :               0.00394103948297
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.01637655877583
                   +1 :              -0.00746515177396
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00599344585154
                   +1 :               0.00107097483778
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00033082825051
                   +1 :               0.00056304174495
                   +2 :               0.00001930579174
              4 vec=     3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00129164601058
                2s
                   +0 :               0.02558196854282
                3s
                   +0 :              -0.00394103948297
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.01637655877583
                   +1 :              -0.00746515177396
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00599344585154
                   +1 :               0.00107097483778
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00033082825051
                   +1 :               0.00056304174495
                   +2 :              -0.00001930579174
              5 vec=    -7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :               0.00463291943376
                   +0 :               0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :               0.00058133923519
                   +0 :              -0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :              -0.00041147796466
                   -1 :              -0.00004203303073
                   +0 :               0.00025951533319
                   +1 :              -0.00005402121213
                   +2 :               0.00027788803562
              6 vec=    -7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :              -0.00463291943376
                   +0 :               0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :              -0.00058133923519
                   +0 :              -0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :               0.00041147796466
                   -1 :               0.00004203303073
                   +0 :               0.00025951533319
                   +1 :              -0.00005402121213
                   +2 :               0.00027788803562
              7 vec=     7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :              -0.00463291943376
                   +0 :              -0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :              -0.00058133923519
                   +0 :               0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :              -0.00041147796466
                   -1 :               0.00004203303073
                   +0 :              -0.00025951533319
                   +1 :              -0.00005402121213
                   +2 :              -0.00027788803562
              8 vec=     7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :               0.00463291943376
                   +0 :              -0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :               0.00058133923519
                   +0 :               0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :               0.00041147796466
                   -1 :              -0.00004203303073
                   +0 :              -0.00025951533319
                   +1 :              -0.00005402121213
                   +2 :              -0.00027788803562
              9 vec=    -3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :              -0.00096836313644
                   +0 :               0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :               0.00036347040056
                   +0 :              -0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :              -0.00001877492925
                   -1 :               0.00000815448909
                   +0 :               0.00005099977728
                   +1 :               0.00000470038411
                   +2 :               0.00000459636233
             10 vec=    -3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :               0.00096836313644
                   +0 :               0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :              -0.00036347040056
                   +0 :              -0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :               0.00001877492925
                   -1 :              -0.00000815448909
                   +0 :               0.00005099977728
                   +1 :               0.00000470038411
                   +2 :               0.00000459636233
             11 vec=     3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :               0.00096836313644
                   +0 :              -0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :              -0.00036347040056
                   +0 :               0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :              -0.00001877492925
                   -1 :              -0.00000815448909
                   +0 :              -0.00005099977728
                   +1 :               0.00000470038411
                   +2 :              -0.00000459636233
             12 vec=     3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :              -0.00096836313644
                   +0 :              -0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :               0.00036347040056
                   +0 :               0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :               0.00001877492925
                   -1 :               0.00000815448909
                   +0 :              -0.00005099977728
                   +1 :               0.00000470038411
                   +2 :              -0.00000459636233
             13 vec=     0.000000    -10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00099546027938
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00015302781729
                3d
                   -2 :              -0.00000779825306
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000853621766
                   +2 :               0.00000000000000
             14 vec=     0.000000     10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00099546027938
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00015302781729
                3d
                   -2 :               0.00000779825306
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000853621766
                   +2 :               0.00000000000000
             15 vec=   -10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000607518384
                2s
                   +0 :              -0.00012445038425
                3s
                   +0 :               0.00011362521475
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00042003585335
                   +1 :               0.00070257134249
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00031909029097
                   +1 :              -0.00030236280933
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000426562255
                   +1 :               0.00007271531297
                   +2 :               0.00007117022052
             16 vec=    10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000607518384
                2s
                   +0 :               0.00012445038425
                3s
                   +0 :              -0.00011362521475
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00042003585335
                   +1 :               0.00070257134249
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00031909029097
                   +1 :              -0.00030236280933
                3d
                   -1 :               0.00000000000000
                   +0 :               0.00000426562255
                   +1 :               0.00007271531297
                   +2 :              -0.00007117022052
             17 vec=    -7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :               0.00029996354089
                   +0 :              -0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :              -0.00014628226378
                   +0 :              -0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :              -0.00000100815990
                   -1 :               0.00000302249372
                   +0 :              -0.00001097410534
                   +1 :              -0.00000398179857
                   +2 :              -0.00002843458505
             18 vec=    -7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :              -0.00029996354089
                   +0 :              -0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :               0.00014628226378
                   +0 :              -0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :               0.00000100815990
                   -1 :              -0.00000302249372
                   +0 :              -0.00001097410534
                   +1 :              -0.00000398179857
                   +2 :              -0.00002843458505
             19 vec=     7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :              -0.00029996354089
                   +0 :               0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :               0.00014628226378
                   +0 :               0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :              -0.00000100815990
                   -1 :              -0.00000302249372
                   +0 :               0.00001097410534
                   +1 :              -0.00000398179857
                   +2 :               0.00002843458505
             20 vec=     7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :               0.00029996354089
                   +0 :               0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :              -0.00014628226378
                   +0 :               0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :               0.00000100815990
                   -1 :               0.00000302249372
                   +0 :               0.00001097410534
                   +1 :              -0.00000398179857
                   +2 :               0.00002843458505
             21 vec=   -10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :               0.00056063483779
                   +0 :              -0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :              -0.00014269335322
                   +0 :               0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :               0.00001549241991
                   -1 :              -0.00004150380356
                   +0 :              -0.00000199360079
                   +1 :              -0.00003793858466
                   +2 :               0.00002038651106
             22 vec=   -10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :              -0.00056063483779
                   +0 :              -0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :               0.00014269335322
                   +0 :               0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :              -0.00001549241991
                   -1 :               0.00004150380356
                   +0 :              -0.00000199360079
                   +1 :              -0.00003793858466
                   +2 :               0.00002038651106
             23 vec=    10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :              -0.00056063483779
                   +0 :               0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :               0.00014269335322
                   +0 :              -0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :               0.00001549241991
                   -1 :               0.00004150380356
                   +0 :               0.00000199360079
                   +1 :              -0.00003793858466
                   +2 :              -0.00002038651106
             24 vec=    10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :               0.00056063483779
                   +0 :               0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :              -0.00014269335322
                   +0 :              -0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :              -0.00001549241991
                   -1 :              -0.00004150380356
                   +0 :               0.00000199360079
                   +1 :              -0.00003793858466
                   +2 :              -0.00002038651106
             25 vec=   -14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :               0.00015312696538
                   +0 :              -0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :              -0.00023693161434
                   +0 :               0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :               0.00002854525973
                   -1 :              -0.00002081961987
                   +0 :              -0.00001666268900
                   +1 :              -0.00002149958468
                   +2 :              -0.00005370528681
             26 vec=   -14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :              -0.00015312696538
                   +0 :              -0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :               0.00023693161434
                   +0 :               0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :              -0.00002854525973
                   -1 :               0.00002081961987
                   +0 :              -0.00001666268900
                   +1 :              -0.00002149958468
                   +2 :              -0.00005370528681
             27 vec=    14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :              -0.00015312696538
                   +0 :               0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :               0.00023693161434
                   +0 :              -0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :               0.00002854525973
                   -1 :               0.00002081961987
                   +0 :               0.00001666268900
                   +1 :              -0.00002149958468
                   +2 :               0.00005370528681
             28 vec=    14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :               0.00015312696538
                   +0 :               0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :              -0.00023693161434
                   +0 :              -0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :              -0.00002854525973
                   -1 :              -0.00002081961987
                   +0 :               0.00001666268900
                   +1 :              -0.00002149958468
                   +2 :               0.00005370528681
             29 vec=    -3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :               0.00013191803211
                   +0 :              -0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :              -0.00006495053079
                   +0 :               0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :              -0.00000310852421
                   -1 :               0.00000735558489
                   +0 :              -0.00000415435416
                   +1 :               0.00000771400869
                   +2 :              -0.00000000539026
             30 vec=    -3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :              -0.00013191803211
                   +0 :              -0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :               0.00006495053079
                   +0 :               0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :               0.00000310852421
                   -1 :              -0.00000735558489
                   +0 :              -0.00000415435416
                   +1 :               0.00000771400869
                   +2 :              -0.00000000539026
             31 vec=     3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :              -0.00013191803211
                   +0 :               0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :               0.00006495053079
                   +0 :              -0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :              -0.00000310852421
                   -1 :              -0.00000735558489
                   +0 :               0.00000415435416
                   +1 :               0.00000771400869
                   +2 :               0.00000000539026
             32 vec=     3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :               0.00013191803211
                   +0 :               0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :              -0.00006495053079
                   +0 :              -0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :               0.00000310852421
                   -1 :               0.00000735558489
                   +0 :               0.00000415435416
                   +1 :               0.00000771400869
                   +2 :               0.00000000539026
             33 vec=    -3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00006432397051
                2s
                   +0 :               0.00093529050968
                3s
                   +0 :              -0.00016237592557
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00104056814107
                   +1 :              -0.00016420666615
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00035938279183
                   +1 :               0.00004893556688
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000500550309
                   +1 :              -0.00000523696187
                   +2 :               0.00000625417068
             34 vec=     3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00006432397051
                2s
                   +0 :              -0.00093529050968
                3s
                   +0 :               0.00016237592557
                2p
                   +0 :              -0.00104056814107
                   +1 :              -0.00016420666615
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00035938279183
                   +1 :               0.00004893556688
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000500550309
                   +1 :              -0.00000523696187
                   +2 :              -0.00000625417068
WF             site_B          number of pairs
WF(  8)=[O 2p1]  to site O (  7)  npairs=  34
              1 vec=     0.000000     -3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00691409663429
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00080471290557
                3d
                   -2 :              -0.00011228707065
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003956422721
                   +2 :               0.00000000000000
              2 vec=     0.000000      3.573189     -4.566642   |vec|=    5.798439
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00691409663429
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00080471290557
                3d
                   -2 :               0.00011228707065
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003956422721
                   +2 :              -0.00000000000000
              3 vec=    -3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00129164601058
                2s
                   +0 :              -0.02558196854282
                3s
                   +0 :               0.00394103948297
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.01637655877583
                   +1 :              -0.00746515177396
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00599344585154
                   +1 :               0.00107097483778
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00033082825051
                   +1 :              -0.00056304174495
                   +2 :               0.00001930579174
              4 vec=     3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00129164601058
                2s
                   +0 :               0.02558196854282
                3s
                   +0 :              -0.00394103948297
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.01637655877583
                   +1 :              -0.00746515177396
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00599344585154
                   +1 :               0.00107097483778
                3d
                   -1 :              -0.00000000000000
                   +0 :               0.00033082825051
                   +1 :              -0.00056304174495
                   +2 :              -0.00001930579174
              5 vec=    -7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :               0.00463291943376
                   +0 :              -0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :               0.00058133923519
                   +0 :               0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :              -0.00041147796466
                   -1 :               0.00004203303073
                   +0 :               0.00025951533319
                   +1 :               0.00005402121213
                   +2 :               0.00027788803562
              6 vec=    -7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :              -0.00463291943376
                   +0 :              -0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :              -0.00058133923519
                   +0 :               0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :               0.00041147796466
                   -1 :              -0.00004203303073
                   +0 :               0.00025951533319
                   +1 :               0.00005402121213
                   +2 :               0.00027788803562
              7 vec=     7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :              -0.00463291943376
                   +0 :               0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :              -0.00058133923519
                   +0 :              -0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :              -0.00041147796466
                   -1 :              -0.00004203303073
                   +0 :              -0.00025951533319
                   +1 :               0.00005402121213
                   +2 :              -0.00027788803562
              8 vec=     7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :               0.00463291943376
                   +0 :               0.00207205816098
                   +1 :              -0.00012501087379
                3p
                   -1 :               0.00058133923519
                   +0 :              -0.00058755646384
                   +1 :               0.00078942751077
                3d
                   -2 :               0.00041147796466
                   -1 :               0.00004203303073
                   +0 :              -0.00025951533319
                   +1 :               0.00005402121213
                   +2 :              -0.00027788803562
              9 vec=    -3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :              -0.00096836313644
                   +0 :              -0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :               0.00036347040056
                   +0 :               0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :              -0.00001877492925
                   -1 :              -0.00000815448909
                   +0 :               0.00005099977728
                   +1 :              -0.00000470038411
                   +2 :               0.00000459636233
             10 vec=    -3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :               0.00096836313644
                   +0 :              -0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :              -0.00036347040056
                   +0 :               0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :               0.00001877492925
                   -1 :               0.00000815448909
                   +0 :               0.00005099977728
                   +1 :              -0.00000470038411
                   +2 :               0.00000459636233
             11 vec=     3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :               0.00096836313644
                   +0 :               0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :              -0.00036347040056
                   +0 :              -0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :              -0.00001877492925
                   -1 :               0.00000815448909
                   +0 :              -0.00005099977728
                   +1 :              -0.00000470038411
                   +2 :              -0.00000459636233
             12 vec=     3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :              -0.00096836313644
                   +0 :               0.00146841499763
                   +1 :              -0.00012793310910
                3p
                   -1 :               0.00036347040056
                   +0 :              -0.00048261813346
                   +1 :               0.00006240017598
                3d
                   -2 :               0.00001877492925
                   -1 :              -0.00000815448909
                   +0 :              -0.00005099977728
                   +1 :              -0.00000470038411
                   +2 :              -0.00000459636233
             13 vec=     0.000000    -10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00099546027938
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00015302781729
                3d
                   -2 :              -0.00000779825306
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000853621766
                   +2 :              -0.00000000000000
             14 vec=     0.000000     10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00099546027938
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00015302781729
                3d
                   -2 :               0.00000779825306
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000853621766
                   +2 :              -0.00000000000000
             15 vec=   -10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000607518384
                2s
                   +0 :              -0.00012445038425
                3s
                   +0 :               0.00011362521475
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00042003585335
                   +1 :               0.00070257134249
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00031909029097
                   +1 :              -0.00030236280933
                3d
                   -1 :              -0.00000000000000
                   +0 :              -0.00000426562255
                   +1 :              -0.00007271531297
                   +2 :               0.00007117022052
             16 vec=    10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000607518384
                2s
                   +0 :               0.00012445038425
                3s
                   +0 :              -0.00011362521475
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00042003585335
                   +1 :               0.00070257134249
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00031909029097
                   +1 :              -0.00030236280933
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000426562255
                   +1 :              -0.00007271531297
                   +2 :              -0.00007117022052
             17 vec=    -7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :               0.00029996354089
                   +0 :               0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :              -0.00014628226378
                   +0 :               0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :              -0.00000100815990
                   -1 :              -0.00000302249372
                   +0 :              -0.00001097410534
                   +1 :               0.00000398179857
                   +2 :              -0.00002843458505
             18 vec=    -7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :              -0.00029996354089
                   +0 :               0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :               0.00014628226378
                   +0 :               0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :               0.00000100815990
                   -1 :               0.00000302249372
                   +0 :              -0.00001097410534
                   +1 :               0.00000398179857
                   +2 :              -0.00002843458505
             19 vec=     7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :              -0.00029996354089
                   +0 :              -0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :               0.00014628226378
                   +0 :              -0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :              -0.00000100815990
                   -1 :               0.00000302249372
                   +0 :               0.00001097410534
                   +1 :               0.00000398179857
                   +2 :               0.00002843458505
             20 vec=     7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :               0.00029996354089
                   +0 :              -0.00017957007310
                   +1 :               0.00044594421002
                3p
                   -1 :              -0.00014628226378
                   +0 :              -0.00004254720039
                   +1 :              -0.00012998345329
                3d
                   -2 :               0.00000100815990
                   -1 :              -0.00000302249372
                   +0 :               0.00001097410534
                   +1 :               0.00000398179857
                   +2 :               0.00002843458505
             21 vec=   -10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :               0.00056063483779
                   +0 :               0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :              -0.00014269335322
                   +0 :              -0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :               0.00001549241991
                   -1 :               0.00004150380356
                   +0 :              -0.00000199360079
                   +1 :               0.00003793858466
                   +2 :               0.00002038651106
             22 vec=   -10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :              -0.00056063483779
                   +0 :               0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :               0.00014269335322
                   +0 :              -0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :              -0.00001549241991
                   -1 :              -0.00004150380356
                   +0 :              -0.00000199360079
                   +1 :               0.00003793858466
                   +2 :               0.00002038651106
             23 vec=    10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :              -0.00056063483779
                   +0 :              -0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :               0.00014269335322
                   +0 :               0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :               0.00001549241991
                   -1 :              -0.00004150380356
                   +0 :               0.00000199360079
                   +1 :               0.00003793858466
                   +2 :              -0.00002038651106
             24 vec=    10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :               0.00056063483779
                   +0 :              -0.00000373650059
                   +1 :               0.00029447960748
                3p
                   -1 :              -0.00014269335322
                   +0 :               0.00007354241719
                   +1 :              -0.00010340976037
                3d
                   -2 :              -0.00001549241991
                   -1 :               0.00004150380356
                   +0 :               0.00000199360079
                   +1 :               0.00003793858466
                   +2 :              -0.00002038651106
             25 vec=   -14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :               0.00015312696538
                   +0 :               0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :              -0.00023693161434
                   +0 :              -0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :               0.00002854525973
                   -1 :               0.00002081961987
                   +0 :              -0.00001666268900
                   +1 :               0.00002149958468
                   +2 :              -0.00005370528681
             26 vec=   -14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :              -0.00015312696538
                   +0 :               0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :               0.00023693161434
                   +0 :              -0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :              -0.00002854525973
                   -1 :              -0.00002081961987
                   +0 :              -0.00001666268900
                   +1 :               0.00002149958468
                   +2 :              -0.00005370528681
             27 vec=    14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :              -0.00015312696538
                   +0 :              -0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :               0.00023693161434
                   +0 :               0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :               0.00002854525973
                   -1 :              -0.00002081961987
                   +0 :               0.00001666268900
                   +1 :               0.00002149958468
                   +2 :               0.00005370528681
             28 vec=    14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :               0.00015312696538
                   +0 :              -0.00015249560736
                   +1 :               0.00034135054708
                3p
                   -1 :              -0.00023693161434
                   +0 :               0.00008502246760
                   +1 :              -0.00007649542092
                3d
                   -2 :              -0.00002854525973
                   -1 :               0.00002081961987
                   +0 :               0.00001666268900
                   +1 :               0.00002149958468
                   +2 :               0.00005370528681
             29 vec=    -3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :               0.00013191803211
                   +0 :               0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :              -0.00006495053079
                   +0 :              -0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :              -0.00000310852421
                   -1 :              -0.00000735558489
                   +0 :              -0.00000415435416
                   +1 :              -0.00000771400869
                   +2 :              -0.00000000539026
             30 vec=    -3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :              -0.00013191803211
                   +0 :               0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :               0.00006495053079
                   +0 :              -0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :               0.00000310852421
                   -1 :               0.00000735558489
                   +0 :              -0.00000415435416
                   +1 :              -0.00000771400869
                   +2 :              -0.00000000539026
             31 vec=     3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :              -0.00013191803211
                   +0 :              -0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :               0.00006495053079
                   +0 :               0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :              -0.00000310852421
                   -1 :               0.00000735558489
                   +0 :               0.00000415435416
                   +1 :              -0.00000771400869
                   +2 :               0.00000000539026
             32 vec=     3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :               0.00013191803211
                   +0 :              -0.00011163174319
                   +1 :              -0.00005285983449
                3p
                   -1 :              -0.00006495053079
                   +0 :               0.00007515980213
                   +1 :               0.00001692313697
                3d
                   -2 :               0.00000310852421
                   -1 :              -0.00000735558489
                   +0 :               0.00000415435416
                   +1 :              -0.00000771400869
                   +2 :               0.00000000539026
             33 vec=    -3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00006432397051
                2s
                   +0 :               0.00093529050968
                3s
                   +0 :              -0.00016237592557
                2p
                   +0 :              -0.00104056814107
                   +1 :              -0.00016420666615
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00035938279183
                   +1 :               0.00004893556688
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000500550309
                   +1 :               0.00000523696187
                   +2 :               0.00000625417068
             34 vec=     3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00006432397051
                2s
                   +0 :              -0.00093529050968
                3s
                   +0 :               0.00016237592557
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00104056814107
                   +1 :              -0.00016420666615
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00035938279183
                   +1 :               0.00004893556688
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000500550309
                   +1 :               0.00000523696187
                   +2 :              -0.00000625417068
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site La(  1)  npairs=  38
              1 vec=     0.000000     -3.573189     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.03717601255812
                5p
                   -1 :              -0.06678524192137
                   +0 :              -0.09663851739866
                   +1 :               0.00000000000000
                6s
                   +0 :               0.01914944531328
                7s
                   +0 :               0.00175170848615
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.06452571942247
                   +0 :              -0.03876110667534
                   +1 :               0.00000000000000
                   +2 :               0.02679516653704
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00547753049715
                   +0 :               0.00143670048782
                   +1 :               0.00000000000000
                   +2 :               0.00213742735572
                6p
                   -1 :              -0.00048640344862
                   +0 :              -0.00378884906353
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00594331424910
                   -2 :               0.00000000000000
                   -1 :              -0.03402781102615
                   +0 :              -0.01039927423270
                   +1 :               0.00000000000000
                   +2 :               0.02659633921999
                   +3 :              -0.00000000000000
              2 vec=     0.000000      3.573189     -3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.03717601255812
                5p
                   -1 :              -0.06678524192137
                   +0 :               0.09663851739866
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.01914944531328
                7s
                   +0 :              -0.00175170848615
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.06452571942247
                   +0 :               0.03876110667534
                   +1 :               0.00000000000000
                   +2 :              -0.02679516653704
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00547753049715
                   +0 :              -0.00143670048782
                   +1 :               0.00000000000000
                   +2 :              -0.00213742735572
                6p
                   -1 :              -0.00048640344862
                   +0 :               0.00378884906353
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00594331424910
                   -2 :              -0.00000000000000
                   -1 :              -0.03402781102615
                   +0 :               0.01039927423270
                   +1 :               0.00000000000000
                   +2 :              -0.02659633921999
                   +3 :              -0.00000000000000
              3 vec=    -7.146377     -3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :              -0.00037205201986
                   +1 :               0.00062523979798
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :               0.00181083738308
                   +0 :              -0.00122444657447
                   +1 :              -0.00408392231459
                   +2 :              -0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :              -0.00003646085461
                   +0 :               0.00014750288558
                   +1 :               0.00008973176267
                   +2 :               0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :              -0.00006877958762
                   +1 :               0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :               0.00032583673462
                   -1 :               0.00100325989277
                   +0 :              -0.00004150860142
                   +1 :              -0.00225686133107
                   +2 :              -0.00191482158502
                   +3 :               0.00077012922547
              4 vec=    -7.146377      3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :               0.00037205201986
                   +1 :              -0.00062523979798
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :               0.00181083738308
                   +0 :               0.00122444657447
                   +1 :               0.00408392231459
                   +2 :               0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :              -0.00003646085461
                   +0 :              -0.00014750288558
                   +1 :              -0.00008973176267
                   +2 :              -0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :               0.00006877958762
                   +1 :              -0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :               0.00032583673462
                   -1 :               0.00100325989277
                   +0 :               0.00004150860142
                   +1 :               0.00225686133107
                   +2 :               0.00191482158502
                   +3 :              -0.00077012922547
              5 vec=     7.146377     -3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :              -0.00037205201986
                   +1 :              -0.00062523979798
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :               0.00181083738308
                   +0 :              -0.00122444657447
                   +1 :               0.00408392231459
                   +2 :              -0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :              -0.00003646085461
                   +0 :               0.00014750288558
                   +1 :              -0.00008973176267
                   +2 :               0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :              -0.00006877958762
                   +1 :              -0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :              -0.00032583673462
                   -1 :               0.00100325989277
                   +0 :              -0.00004150860142
                   +1 :               0.00225686133107
                   +2 :              -0.00191482158502
                   +3 :              -0.00077012922547
              6 vec=     7.146377      3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :               0.00037205201986
                   +1 :               0.00062523979798
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :               0.00181083738308
                   +0 :               0.00122444657447
                   +1 :              -0.00408392231459
                   +2 :               0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :              -0.00003646085461
                   +0 :              -0.00014750288558
                   +1 :               0.00008973176267
                   +2 :              -0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :               0.00006877958762
                   +1 :               0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :              -0.00032583673462
                   -1 :               0.00100325989277
                   +0 :               0.00004150860142
                   +1 :              -0.00225686133107
                   +2 :               0.00191482158502
                   +3 :               0.00077012922547
              7 vec=    -3.573189      0.000000      9.013109   |vec|=    9.695556
                5p
                   -1 :              -0.00021023056539
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :               0.00331589748007
                   -1 :              -0.00006677255867
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00040512967748
                   -1 :               0.00017430503927
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00036665372923
                   +0 :              -0.00000000000000
                4f
                   -3 :               0.00135857347963
                   -2 :               0.00083005180286
                   -1 :              -0.00091999191427
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              8 vec=     3.573189      0.000000      9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00021023056539
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00331589748007
                   -1 :              -0.00006677255867
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00040512967748
                   -1 :               0.00017430503927
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00036665372923
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00135857347963
                   -2 :              -0.00083005180286
                   -1 :              -0.00091999191427
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              9 vec=     0.000000    -10.719566     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00005793310862
                5p
                   -1 :              -0.00184695211218
                   +0 :              -0.00001233165896
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00165854645389
                7s
                   +0 :              -0.00041670418082
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00154655253490
                   +0 :               0.00169547210074
                   +1 :              -0.00000000000000
                   +2 :               0.00028754153874
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00070787767838
                   +0 :              -0.00061421251495
                   +1 :              -0.00000000000000
                   +2 :              -0.00078042665176
                6p
                   -1 :              -0.00064186555467
                   +0 :               0.00024805690108
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00029828711412
                   -2 :               0.00000000000000
                   -1 :               0.00075149324044
                   +0 :               0.00016421060955
                   +1 :              -0.00000000000000
                   +2 :              -0.00005029056787
                   +3 :              -0.00000000000000
             10 vec=     0.000000     10.719566     -3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00005793310862
                5p
                   -1 :              -0.00184695211218
                   +0 :               0.00001233165896
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00165854645389
                7s
                   +0 :               0.00041670418082
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00154655253490
                   +0 :              -0.00169547210074
                   +1 :              -0.00000000000000
                   +2 :              -0.00028754153874
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00070787767838
                   +0 :               0.00061421251495
                   +1 :               0.00000000000000
                   +2 :               0.00078042665176
                6p
                   -1 :              -0.00064186555467
                   +0 :              -0.00024805690108
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00029828711412
                   -2 :              -0.00000000000000
                   -1 :               0.00075149324044
                   +0 :              -0.00016421060955
                   +1 :              -0.00000000000000
                   +2 :               0.00005029056787
                   +3 :               0.00000000000000
             11 vec=    -3.573189     -7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :               0.00004275871981
                   +1 :               0.00003175696093
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :              -0.00026380463303
                   +0 :              -0.00035990437528
                   +1 :              -0.00024479937963
                   +2 :               0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :              -0.00036990903598
                   +0 :               0.00039434288727
                   +1 :              -0.00078920718602
                   +2 :               0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :               0.00061489125425
                   +1 :              -0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :              -0.00023567814760
                   -1 :               0.00073496514144
                   +0 :               0.00040765495230
                   +1 :               0.00081804026797
                   +2 :              -0.00034729636586
                   +3 :               0.00045628934003
             12 vec=    -3.573189      7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :              -0.00004275871981
                   +1 :              -0.00003175696093
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :              -0.00026380463303
                   +0 :               0.00035990437528
                   +1 :               0.00024479937963
                   +2 :              -0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :              -0.00036990903598
                   +0 :              -0.00039434288727
                   +1 :               0.00078920718602
                   +2 :              -0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :              -0.00061489125425
                   +1 :               0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :              -0.00023567814760
                   -1 :               0.00073496514144
                   +0 :              -0.00040765495230
                   +1 :              -0.00081804026797
                   +2 :               0.00034729636586
                   +3 :              -0.00045628934003
             13 vec=     3.573189     -7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :               0.00004275871981
                   +1 :              -0.00003175696093
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :              -0.00026380463303
                   +0 :              -0.00035990437528
                   +1 :               0.00024479937963
                   +2 :               0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :              -0.00036990903598
                   +0 :               0.00039434288727
                   +1 :               0.00078920718602
                   +2 :               0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :               0.00061489125425
                   +1 :               0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :               0.00023567814760
                   -1 :               0.00073496514144
                   +0 :               0.00040765495230
                   +1 :              -0.00081804026797
                   +2 :              -0.00034729636586
                   +3 :              -0.00045628934003
             14 vec=     3.573189      7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :              -0.00004275871981
                   +1 :               0.00003175696093
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :              -0.00026380463303
                   +0 :               0.00035990437528
                   +1 :              -0.00024479937963
                   +2 :              -0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :              -0.00036990903598
                   +0 :              -0.00039434288727
                   +1 :              -0.00078920718602
                   +2 :              -0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :              -0.00061489125425
                   +1 :              -0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :               0.00023567814760
                   -1 :               0.00073496514144
                   +0 :              -0.00040765495230
                   +1 :               0.00081804026797
                   +2 :               0.00034729636586
                   +3 :               0.00045628934003
             15 vec=    -7.146377    -10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :              -0.00017499526304
                   +1 :               0.00010298200656
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :               0.00014115071873
                   +0 :               0.00076439436895
                   +1 :               0.00111597473338
                   +2 :              -0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :              -0.00019621496489
                   +0 :              -0.00012719203530
                   +1 :              -0.00020809923494
                   +2 :               0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :              -0.00000717157724
                   +1 :              -0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :               0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :              -0.00039707321240
                   +1 :               0.00030408196694
                   +2 :               0.00041563381615
                   +3 :              -0.00003446381717
             16 vec=    -7.146377     10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :               0.00017499526304
                   +1 :              -0.00010298200656
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :               0.00014115071873
                   +0 :              -0.00076439436895
                   +1 :              -0.00111597473338
                   +2 :               0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :              -0.00019621496489
                   +0 :               0.00012719203530
                   +1 :               0.00020809923494
                   +2 :              -0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :               0.00000717157724
                   +1 :               0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :               0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :               0.00039707321240
                   +1 :              -0.00030408196694
                   +2 :              -0.00041563381615
                   +3 :               0.00003446381717
             17 vec=     7.146377    -10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :              -0.00017499526304
                   +1 :              -0.00010298200656
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :               0.00014115071873
                   +0 :               0.00076439436895
                   +1 :              -0.00111597473338
                   +2 :              -0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :              -0.00019621496489
                   +0 :              -0.00012719203530
                   +1 :               0.00020809923494
                   +2 :               0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :              -0.00000717157724
                   +1 :               0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :              -0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :              -0.00039707321240
                   +1 :              -0.00030408196694
                   +2 :               0.00041563381615
                   +3 :               0.00003446381717
             18 vec=     7.146377     10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :               0.00017499526304
                   +1 :               0.00010298200656
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :               0.00014115071873
                   +0 :              -0.00076439436895
                   +1 :               0.00111597473338
                   +2 :               0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :              -0.00019621496489
                   +0 :               0.00012719203530
                   +1 :              -0.00020809923494
                   +2 :              -0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :               0.00000717157724
                   +1 :              -0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :              -0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :               0.00039707321240
                   +1 :               0.00030408196694
                   +2 :              -0.00041563381615
                   +3 :              -0.00003446381717
             19 vec=   -10.719566      0.000000      9.013109   |vec|=   14.005186
                5p
                   -1 :              -0.00005560581404
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00003707913669
                   -1 :              -0.00005567556350
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00004239838939
                   -1 :               0.00013814410734
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00010071290114
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00002098407883
                   -2 :              -0.00003765703126
                   -1 :              -0.00017145807316
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             20 vec=    10.719566      0.000000      9.013109   |vec|=   14.005186
                5p
                   -1 :              -0.00005560581404
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00003707913669
                   -1 :              -0.00005567556350
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00004239838939
                   -1 :               0.00013814410734
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00010071290114
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00002098407883
                   -2 :               0.00003765703126
                   -1 :              -0.00017145807316
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             21 vec=   -14.292755     -3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :               0.00005652713183
                   +1 :               0.00008804748030
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :              -0.00020632318295
                   +0 :               0.00030810925700
                   +1 :               0.00030229418493
                   +2 :              -0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :               0.00001415008075
                   +0 :              -0.00008906636128
                   +1 :              -0.00009344449342
                   +2 :               0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :               0.00005389497750
                   +1 :              -0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :              -0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :               0.00008601789662
                   +1 :               0.00023901971104
                   +2 :               0.00011147415574
                   +3 :              -0.00022499437978
             22 vec=   -14.292755      3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :              -0.00005652713183
                   +1 :              -0.00008804748030
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :              -0.00020632318295
                   +0 :              -0.00030810925700
                   +1 :              -0.00030229418493
                   +2 :               0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :               0.00001415008075
                   +0 :               0.00008906636128
                   +1 :               0.00009344449342
                   +2 :              -0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :              -0.00005389497750
                   +1 :               0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :              -0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :              -0.00008601789662
                   +1 :              -0.00023901971104
                   +2 :              -0.00011147415574
                   +3 :               0.00022499437978
             23 vec=    14.292755     -3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :               0.00005652713183
                   +1 :              -0.00008804748030
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :              -0.00020632318295
                   +0 :               0.00030810925700
                   +1 :              -0.00030229418493
                   +2 :              -0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :               0.00001415008075
                   +0 :              -0.00008906636128
                   +1 :               0.00009344449342
                   +2 :               0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :               0.00005389497750
                   +1 :               0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :               0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :               0.00008601789662
                   +1 :              -0.00023901971104
                   +2 :               0.00011147415574
                   +3 :               0.00022499437978
             24 vec=    14.292755      3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :              -0.00005652713183
                   +1 :               0.00008804748030
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :              -0.00020632318295
                   +0 :              -0.00030810925700
                   +1 :               0.00030229418493
                   +2 :               0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :               0.00001415008075
                   +0 :               0.00008906636128
                   +1 :              -0.00009344449342
                   +2 :              -0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :              -0.00005389497750
                   +1 :              -0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :               0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :              -0.00008601789662
                   +1 :               0.00023901971104
                   +2 :              -0.00011147415574
                   +3 :              -0.00022499437978
             25 vec=   -10.719566     -7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :               0.00002853504816
                   +1 :               0.00009566665440
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :               0.00002122633742
                   +0 :              -0.00023884214746
                   +1 :              -0.00011278774618
                   +2 :               0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :              -0.00009852771622
                   +0 :               0.00002264446281
                   +1 :              -0.00000667473211
                   +2 :              -0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :               0.00006622290264
                   +1 :              -0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :               0.00000469627966
                   -1 :               0.00005662228001
                   +0 :               0.00012462665193
                   +1 :               0.00001698839971
                   +2 :              -0.00006267875334
                   +3 :               0.00011728932222
             26 vec=   -10.719566      7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :              -0.00002853504816
                   +1 :              -0.00009566665440
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :               0.00002122633742
                   +0 :               0.00023884214746
                   +1 :               0.00011278774618
                   +2 :              -0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :              -0.00009852771622
                   +0 :              -0.00002264446281
                   +1 :               0.00000667473211
                   +2 :               0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :              -0.00006622290264
                   +1 :               0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :               0.00000469627966
                   -1 :               0.00005662228001
                   +0 :              -0.00012462665193
                   +1 :              -0.00001698839971
                   +2 :               0.00006267875334
                   +3 :              -0.00011728932222
             27 vec=    10.719566     -7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :               0.00002853504816
                   +1 :              -0.00009566665440
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :               0.00002122633742
                   +0 :              -0.00023884214746
                   +1 :               0.00011278774618
                   +2 :               0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :              -0.00009852771622
                   +0 :               0.00002264446281
                   +1 :               0.00000667473211
                   +2 :              -0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :               0.00006622290264
                   +1 :               0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :              -0.00000469627966
                   -1 :               0.00005662228001
                   +0 :               0.00012462665193
                   +1 :              -0.00001698839971
                   +2 :              -0.00006267875334
                   +3 :              -0.00011728932222
             28 vec=    10.719566      7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :              -0.00002853504816
                   +1 :               0.00009566665440
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :               0.00002122633742
                   +0 :               0.00023884214746
                   +1 :              -0.00011278774618
                   +2 :              -0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :              -0.00009852771622
                   +0 :              -0.00002264446281
                   +1 :              -0.00000667473211
                   +2 :               0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :              -0.00006622290264
                   +1 :              -0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :              -0.00000469627966
                   -1 :               0.00005662228001
                   +0 :              -0.00012462665193
                   +1 :               0.00001698839971
                   +2 :               0.00006267875334
                   +3 :               0.00011728932222
             29 vec=    -3.573189      0.000000    -16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00007131822625
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00061539517447
                   -1 :               0.00022604735821
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00001971802257
                   -1 :              -0.00000595408806
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000065803059
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00031385919871
                   -2 :              -0.00041966478424
                   -1 :              -0.00002077717309
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             30 vec=     3.573189      0.000000    -16.023305   |vec|=   16.416881
                5p
                   -1 :               0.00007131822625
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00061539517447
                   -1 :               0.00022604735821
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00001971802257
                   -1 :              -0.00000595408806
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000065803059
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00031385919871
                   -2 :               0.00041966478424
                   -1 :              -0.00002077717309
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             31 vec=    -3.573189    -14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :               0.00006433404827
                   +1 :              -0.00004776242883
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :               0.00015449133881
                   +0 :               0.00005300205466
                   +1 :               0.00014135525476
                   +2 :               0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :              -0.00006517506339
                   +0 :              -0.00001377060824
                   +1 :              -0.00008451804151
                   +2 :              -0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :              -0.00001129128868
                   +1 :               0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :               0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :              -0.00004750541952
                   +1 :              -0.00010621877701
                   +2 :              -0.00016970867953
                   +3 :               0.00002612679189
             32 vec=    -3.573189     14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :              -0.00006433404827
                   +1 :               0.00004776242883
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :               0.00015449133881
                   +0 :              -0.00005300205466
                   +1 :              -0.00014135525476
                   +2 :              -0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :              -0.00006517506339
                   +0 :               0.00001377060824
                   +1 :               0.00008451804151
                   +2 :               0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :               0.00001129128868
                   +1 :              -0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :               0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :               0.00004750541952
                   +1 :               0.00010621877701
                   +2 :               0.00016970867953
                   +3 :              -0.00002612679189
             33 vec=     3.573189    -14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :               0.00006433404827
                   +1 :               0.00004776242883
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :               0.00015449133881
                   +0 :               0.00005300205466
                   +1 :              -0.00014135525476
                   +2 :               0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :              -0.00006517506339
                   +0 :              -0.00001377060824
                   +1 :               0.00008451804151
                   +2 :              -0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :              -0.00001129128868
                   +1 :              -0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :              -0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :              -0.00004750541952
                   +1 :               0.00010621877701
                   +2 :              -0.00016970867953
                   +3 :              -0.00002612679189
             34 vec=     3.573189     14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :              -0.00006433404827
                   +1 :              -0.00004776242883
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :               0.00015449133881
                   +0 :              -0.00005300205466
                   +1 :               0.00014135525476
                   +2 :              -0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :              -0.00006517506339
                   +0 :               0.00001377060824
                   +1 :              -0.00008451804151
                   +2 :               0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :               0.00001129128868
                   +1 :               0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :              -0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :               0.00004750541952
                   +1 :              -0.00010621877701
                   +2 :               0.00016970867953
                   +3 :               0.00002612679189
             35 vec=    -3.573189     -7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :               0.00000009768954
                   +1 :              -0.00004259574265
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :              -0.00003505856761
                   +0 :               0.00022132207386
                   +1 :               0.00004305684021
                   +2 :               0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :               0.00001324673220
                   +0 :              -0.00016316445736
                   +1 :              -0.00007140764005
                   +2 :              -0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :              -0.00006046036743
                   +1 :               0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :               0.00016292957083
                   -1 :               0.00008614529198
                   +0 :               0.00008627326517
                   +1 :               0.00008215344446
                   +2 :               0.00002039519098
                   +3 :              -0.00014874319955
             36 vec=    -3.573189      7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :              -0.00000009768954
                   +1 :               0.00004259574265
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :              -0.00003505856761
                   +0 :              -0.00022132207386
                   +1 :              -0.00004305684021
                   +2 :              -0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :               0.00001324673220
                   +0 :               0.00016316445736
                   +1 :               0.00007140764005
                   +2 :               0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :               0.00006046036743
                   +1 :              -0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :               0.00016292957083
                   -1 :               0.00008614529198
                   +0 :              -0.00008627326517
                   +1 :              -0.00008215344446
                   +2 :              -0.00002039519098
                   +3 :               0.00014874319955
             37 vec=     3.573189     -7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :               0.00000009768954
                   +1 :               0.00004259574265
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :              -0.00003505856761
                   +0 :               0.00022132207386
                   +1 :              -0.00004305684021
                   +2 :               0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :               0.00001324673220
                   +0 :              -0.00016316445736
                   +1 :               0.00007140764005
                   +2 :              -0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :              -0.00006046036743
                   +1 :              -0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :              -0.00016292957083
                   -1 :               0.00008614529198
                   +0 :               0.00008627326517
                   +1 :              -0.00008215344446
                   +2 :               0.00002039519098
                   +3 :               0.00014874319955
             38 vec=     3.573189      7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :              -0.00000009768954
                   +1 :              -0.00004259574265
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :              -0.00003505856761
                   +0 :              -0.00022132207386
                   +1 :               0.00004305684021
                   +2 :              -0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :               0.00001324673220
                   +0 :               0.00016316445736
                   +1 :              -0.00007140764005
                   +2 :               0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :               0.00006046036743
                   +1 :               0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :              -0.00016292957083
                   -1 :               0.00008614529198
                   +0 :              -0.00008627326517
                   +1 :               0.00008215344446
                   +2 :              -0.00002039519098
                   +3 :              -0.00014874319955
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site La(  2)  npairs=  38
              1 vec=     0.000000     -3.573189      3.505098   |vec|=    5.005336
                5s
                   +0 :               0.03717601255812
                5p
                   -1 :              -0.06678524192137
                   +0 :               0.09663851739866
                   +1 :               0.00000000000000
                6s
                   +0 :               0.01914944531328
                7s
                   +0 :               0.00175170848615
                5d
                   -2 :               0.00000000000000
                   -1 :               0.06452571942247
                   +0 :              -0.03876110667534
                   +1 :              -0.00000000000000
                   +2 :               0.02679516653704
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00547753049715
                   +0 :               0.00143670048782
                   +1 :              -0.00000000000000
                   +2 :               0.00213742735572
                6p
                   -1 :              -0.00048640344862
                   +0 :               0.00378884906353
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00594331424910
                   -2 :              -0.00000000000000
                   -1 :              -0.03402781102615
                   +0 :               0.01039927423270
                   +1 :               0.00000000000000
                   +2 :              -0.02659633921999
                   +3 :              -0.00000000000000
              2 vec=     0.000000      3.573189      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.03717601255812
                5p
                   -1 :              -0.06678524192137
                   +0 :              -0.09663851739866
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.01914944531328
                7s
                   +0 :              -0.00175170848615
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.06452571942247
                   +0 :               0.03876110667534
                   +1 :              -0.00000000000000
                   +2 :              -0.02679516653704
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00547753049715
                   +0 :              -0.00143670048782
                   +1 :              -0.00000000000000
                   +2 :              -0.00213742735572
                6p
                   -1 :              -0.00048640344862
                   +0 :              -0.00378884906353
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00594331424910
                   -2 :               0.00000000000000
                   -1 :              -0.03402781102615
                   +0 :              -0.01039927423270
                   +1 :               0.00000000000000
                   +2 :               0.02659633921999
                   +3 :              -0.00000000000000
              3 vec=    -7.146377     -3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :               0.00037205201986
                   +1 :               0.00062523979798
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :              -0.00181083738308
                   +0 :              -0.00122444657447
                   +1 :               0.00408392231459
                   +2 :              -0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :               0.00003646085461
                   +0 :               0.00014750288558
                   +1 :              -0.00008973176267
                   +2 :               0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :               0.00006877958762
                   +1 :               0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :              -0.00032583673462
                   -1 :               0.00100325989277
                   +0 :               0.00004150860142
                   +1 :              -0.00225686133107
                   +2 :               0.00191482158502
                   +3 :               0.00077012922547
              4 vec=    -7.146377      3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :              -0.00037205201986
                   +1 :              -0.00062523979798
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :              -0.00025734219771
                   -1 :              -0.00181083738308
                   +0 :               0.00122444657447
                   +1 :              -0.00408392231459
                   +2 :               0.00066084479569
                6d
                   -2 :               0.00011204687039
                   -1 :               0.00003646085461
                   +0 :              -0.00014750288558
                   +1 :               0.00008973176267
                   +2 :              -0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :              -0.00006877958762
                   +1 :              -0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :              -0.00032583673462
                   -1 :               0.00100325989277
                   +0 :              -0.00004150860142
                   +1 :               0.00225686133107
                   +2 :              -0.00191482158502
                   +3 :              -0.00077012922547
              5 vec=     7.146377     -3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :               0.00037205201986
                   +1 :              -0.00062523979798
                6s
                   +0 :               0.00173178721496
                7s
                   +0 :              -0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :              -0.00181083738308
                   +0 :              -0.00122444657447
                   +1 :              -0.00408392231459
                   +2 :              -0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :               0.00003646085461
                   +0 :               0.00014750288558
                   +1 :               0.00008973176267
                   +2 :               0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :               0.00006877958762
                   +1 :              -0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :               0.00032583673462
                   -1 :               0.00100325989277
                   +0 :               0.00004150860142
                   +1 :               0.00225686133107
                   +2 :               0.00191482158502
                   +3 :              -0.00077012922547
              6 vec=     7.146377      3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00068429057231
                5p
                   -1 :              -0.00027952653745
                   +0 :              -0.00037205201986
                   +1 :               0.00062523979798
                6s
                   +0 :              -0.00173178721496
                7s
                   +0 :               0.00032036954841
                5d
                   -2 :               0.00025734219771
                   -1 :              -0.00181083738308
                   +0 :               0.00122444657447
                   +1 :               0.00408392231459
                   +2 :               0.00066084479569
                6d
                   -2 :              -0.00011204687039
                   -1 :               0.00003646085461
                   +0 :              -0.00014750288558
                   +1 :              -0.00008973176267
                   +2 :              -0.00002819037306
                6p
                   -1 :               0.00034696527484
                   +0 :              -0.00006877958762
                   +1 :               0.00020119893672
                4f
                   -3 :               0.00026273774429
                   -2 :               0.00032583673462
                   -1 :               0.00100325989277
                   +0 :              -0.00004150860142
                   +1 :              -0.00225686133107
                   +2 :              -0.00191482158502
                   +3 :               0.00077012922547
              7 vec=    -3.573189      0.000000     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00021023056539
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00331589748007
                   -1 :               0.00006677255867
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00040512967748
                   -1 :              -0.00017430503927
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00036665372923
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00135857347963
                   -2 :              -0.00083005180286
                   -1 :              -0.00091999191427
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              8 vec=     3.573189      0.000000     -9.013109   |vec|=    9.695556
                5p
                   -1 :              -0.00021023056539
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                5d
                   -2 :              -0.00331589748007
                   -1 :               0.00006677255867
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00040512967748
                   -1 :              -0.00017430503927
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00036665372923
                   +0 :              -0.00000000000000
                4f
                   -3 :               0.00135857347963
                   -2 :               0.00083005180286
                   -1 :              -0.00091999191427
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              9 vec=     0.000000    -10.719566      3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00005793310862
                5p
                   -1 :              -0.00184695211218
                   +0 :               0.00001233165896
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00165854645389
                7s
                   +0 :              -0.00041670418082
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00154655253490
                   +0 :               0.00169547210074
                   +1 :               0.00000000000000
                   +2 :               0.00028754153874
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00070787767838
                   +0 :              -0.00061421251495
                   +1 :              -0.00000000000000
                   +2 :              -0.00078042665176
                6p
                   -1 :              -0.00064186555467
                   +0 :              -0.00024805690108
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00029828711412
                   -2 :              -0.00000000000000
                   -1 :               0.00075149324044
                   +0 :              -0.00016421060955
                   +1 :              -0.00000000000000
                   +2 :               0.00005029056787
                   +3 :               0.00000000000000
             10 vec=     0.000000     10.719566      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00005793310862
                5p
                   -1 :              -0.00184695211218
                   +0 :              -0.00001233165896
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00165854645389
                7s
                   +0 :               0.00041670418082
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00154655253490
                   +0 :              -0.00169547210074
                   +1 :               0.00000000000000
                   +2 :              -0.00028754153874
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00070787767838
                   +0 :               0.00061421251495
                   +1 :               0.00000000000000
                   +2 :               0.00078042665176
                6p
                   -1 :              -0.00064186555467
                   +0 :               0.00024805690108
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00029828711412
                   -2 :               0.00000000000000
                   -1 :               0.00075149324044
                   +0 :               0.00016421060955
                   +1 :              -0.00000000000000
                   +2 :              -0.00005029056787
                   +3 :              -0.00000000000000
             11 vec=    -3.573189     -7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :              -0.00004275871981
                   +1 :               0.00003175696093
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :               0.00026380463303
                   +0 :              -0.00035990437528
                   +1 :               0.00024479937963
                   +2 :               0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :               0.00036990903598
                   +0 :               0.00039434288727
                   +1 :               0.00078920718602
                   +2 :               0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :              -0.00061489125425
                   +1 :              -0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :               0.00023567814760
                   -1 :               0.00073496514144
                   +0 :              -0.00040765495230
                   +1 :               0.00081804026797
                   +2 :               0.00034729636586
                   +3 :               0.00045628934003
             12 vec=    -3.573189      7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :               0.00004275871981
                   +1 :              -0.00003175696093
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :              -0.00080176558834
                   -1 :               0.00026380463303
                   +0 :               0.00035990437528
                   +1 :              -0.00024479937963
                   +2 :              -0.00076401209917
                6d
                   -2 :               0.00053629930268
                   -1 :               0.00036990903598
                   +0 :              -0.00039434288727
                   +1 :              -0.00078920718602
                   +2 :              -0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :               0.00061489125425
                   +1 :               0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :               0.00023567814760
                   -1 :               0.00073496514144
                   +0 :               0.00040765495230
                   +1 :              -0.00081804026797
                   +2 :              -0.00034729636586
                   +3 :              -0.00045628934003
             13 vec=     3.573189     -7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :              -0.00004275871981
                   +1 :              -0.00003175696093
                6s
                   +0 :               0.00216721279335
                7s
                   +0 :              -0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :               0.00026380463303
                   +0 :              -0.00035990437528
                   +1 :              -0.00024479937963
                   +2 :               0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :               0.00036990903598
                   +0 :               0.00039434288727
                   +1 :              -0.00078920718602
                   +2 :               0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :              -0.00061489125425
                   +1 :               0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :              -0.00023567814760
                   -1 :               0.00073496514144
                   +0 :              -0.00040765495230
                   +1 :              -0.00081804026797
                   +2 :               0.00034729636586
                   +3 :              -0.00045628934003
             14 vec=     3.573189      7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00104853736872
                5p
                   -1 :              -0.00017944654767
                   +0 :               0.00004275871981
                   +1 :               0.00003175696093
                6s
                   +0 :              -0.00216721279335
                7s
                   +0 :               0.00052799338858
                5d
                   -2 :               0.00080176558834
                   -1 :               0.00026380463303
                   +0 :               0.00035990437528
                   +1 :               0.00024479937963
                   +2 :              -0.00076401209917
                6d
                   -2 :              -0.00053629930268
                   -1 :               0.00036990903598
                   +0 :              -0.00039434288727
                   +1 :               0.00078920718602
                   +2 :              -0.00013453684866
                6p
                   -1 :              -0.00019839333843
                   +0 :               0.00061489125425
                   +1 :              -0.00029189008298
                4f
                   -3 :              -0.00000915154168
                   -2 :              -0.00023567814760
                   -1 :               0.00073496514144
                   +0 :               0.00040765495230
                   +1 :               0.00081804026797
                   +2 :              -0.00034729636586
                   +3 :               0.00045628934003
             15 vec=    -7.146377    -10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :               0.00017499526304
                   +1 :               0.00010298200656
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :              -0.00014115071873
                   +0 :               0.00076439436895
                   +1 :              -0.00111597473338
                   +2 :              -0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :               0.00019621496489
                   +0 :              -0.00012719203530
                   +1 :               0.00020809923494
                   +2 :               0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :               0.00000717157724
                   +1 :              -0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :              -0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :               0.00039707321240
                   +1 :               0.00030408196694
                   +2 :              -0.00041563381615
                   +3 :              -0.00003446381717
             16 vec=    -7.146377     10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :              -0.00017499526304
                   +1 :              -0.00010298200656
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :              -0.00167017075011
                   -1 :              -0.00014115071873
                   +0 :              -0.00076439436895
                   +1 :               0.00111597473338
                   +2 :               0.00037052531848
                6d
                   -2 :               0.00041703714501
                   -1 :               0.00019621496489
                   +0 :               0.00012719203530
                   +1 :              -0.00020809923494
                   +2 :              -0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :              -0.00000717157724
                   +1 :               0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :              -0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :              -0.00039707321240
                   +1 :              -0.00030408196694
                   +2 :               0.00041563381615
                   +3 :               0.00003446381717
             17 vec=     7.146377    -10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :               0.00017499526304
                   +1 :              -0.00010298200656
                6s
                   +0 :               0.00192910321283
                7s
                   +0 :              -0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :              -0.00014115071873
                   +0 :               0.00076439436895
                   +1 :               0.00111597473338
                   +2 :              -0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :               0.00019621496489
                   +0 :              -0.00012719203530
                   +1 :              -0.00020809923494
                   +2 :               0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :               0.00000717157724
                   +1 :               0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :               0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :               0.00039707321240
                   +1 :              -0.00030408196694
                   +2 :              -0.00041563381615
                   +3 :               0.00003446381717
             18 vec=     7.146377     10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00006909791640
                5p
                   -1 :              -0.00026646957637
                   +0 :              -0.00017499526304
                   +1 :               0.00010298200656
                6s
                   +0 :              -0.00192910321283
                7s
                   +0 :               0.00030578199143
                5d
                   -2 :               0.00167017075011
                   -1 :              -0.00014115071873
                   +0 :              -0.00076439436895
                   +1 :              -0.00111597473338
                   +2 :               0.00037052531848
                6d
                   -2 :              -0.00041703714501
                   -1 :               0.00019621496489
                   +0 :               0.00012719203530
                   +1 :               0.00020809923494
                   +2 :              -0.00004674132376
                6p
                   -1 :              -0.00035704951405
                   +0 :              -0.00000717157724
                   +1 :              -0.00024789499550
                4f
                   -3 :              -0.00054313071661
                   -2 :               0.00065803977587
                   -1 :              -0.00025306201483
                   +0 :              -0.00039707321240
                   +1 :               0.00030408196694
                   +2 :               0.00041563381615
                   +3 :              -0.00003446381717
             19 vec=   -10.719566      0.000000     -9.013109   |vec|=   14.005186
                5p
                   -1 :              -0.00005560581404
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00003707913669
                   -1 :               0.00005567556350
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00004239838939
                   -1 :              -0.00013814410734
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00010071290114
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00002098407883
                   -2 :               0.00003765703126
                   -1 :              -0.00017145807316
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             20 vec=    10.719566      0.000000     -9.013109   |vec|=   14.005186
                5p
                   -1 :              -0.00005560581404
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00003707913669
                   -1 :               0.00005567556350
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00004239838939
                   -1 :              -0.00013814410734
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00010071290114
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00002098407883
                   -2 :              -0.00003765703126
                   -1 :              -0.00017145807316
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             21 vec=   -14.292755     -3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :              -0.00005652713183
                   +1 :               0.00008804748030
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :               0.00020632318295
                   +0 :               0.00030810925700
                   +1 :              -0.00030229418493
                   +2 :              -0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :              -0.00001415008075
                   +0 :              -0.00008906636128
                   +1 :               0.00009344449342
                   +2 :               0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :              -0.00005389497750
                   +1 :              -0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :               0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :              -0.00008601789662
                   +1 :               0.00023901971104
                   +2 :              -0.00011147415574
                   +3 :              -0.00022499437978
             22 vec=   -14.292755      3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :               0.00005652713183
                   +1 :              -0.00008804748030
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :               0.00007451893875
                   -1 :               0.00020632318295
                   +0 :              -0.00030810925700
                   +1 :               0.00030229418493
                   +2 :               0.00030256036766
                6d
                   -2 :              -0.00000021380259
                   -1 :              -0.00001415008075
                   +0 :               0.00008906636128
                   +1 :              -0.00009344449342
                   +2 :              -0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :               0.00005389497750
                   +1 :               0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :               0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :               0.00008601789662
                   +1 :              -0.00023901971104
                   +2 :               0.00011147415574
                   +3 :               0.00022499437978
             23 vec=    14.292755     -3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :              -0.00005652713183
                   +1 :              -0.00008804748030
                6s
                   +0 :               0.00002811309886
                7s
                   +0 :              -0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :               0.00020632318295
                   +0 :               0.00030810925700
                   +1 :               0.00030229418493
                   +2 :              -0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :              -0.00001415008075
                   +0 :              -0.00008906636128
                   +1 :              -0.00009344449342
                   +2 :               0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :              -0.00005389497750
                   +1 :               0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :              -0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :              -0.00008601789662
                   +1 :              -0.00023901971104
                   +2 :              -0.00011147415574
                   +3 :               0.00022499437978
             24 vec=    14.292755      3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00001895856065
                5p
                   -1 :               0.00005251239557
                   +0 :               0.00005652713183
                   +1 :               0.00008804748030
                6s
                   +0 :              -0.00002811309886
                7s
                   +0 :               0.00000555756665
                5d
                   -2 :              -0.00007451893875
                   -1 :               0.00020632318295
                   +0 :              -0.00030810925700
                   +1 :              -0.00030229418493
                   +2 :               0.00030256036766
                6d
                   -2 :               0.00000021380259
                   -1 :              -0.00001415008075
                   +0 :               0.00008906636128
                   +1 :               0.00009344449342
                   +2 :              -0.00006866395108
                6p
                   -1 :               0.00000343300676
                   +0 :               0.00005389497750
                   +1 :              -0.00005315479128
                4f
                   -3 :              -0.00002465164283
                   -2 :              -0.00015036937247
                   -1 :              -0.00001811564057
                   +0 :               0.00008601789662
                   +1 :               0.00023901971104
                   +2 :               0.00011147415574
                   +3 :              -0.00022499437978
             25 vec=   -10.719566     -7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :              -0.00002853504816
                   +1 :               0.00009566665440
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :              -0.00002122633742
                   +0 :              -0.00023884214746
                   +1 :               0.00011278774618
                   +2 :               0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :               0.00009852771622
                   +0 :               0.00002264446281
                   +1 :               0.00000667473211
                   +2 :              -0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :              -0.00006622290264
                   +1 :              -0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :              -0.00000469627966
                   -1 :               0.00005662228001
                   +0 :              -0.00012462665193
                   +1 :               0.00001698839971
                   +2 :               0.00006267875334
                   +3 :               0.00011728932222
             26 vec=   -10.719566      7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :               0.00002853504816
                   +1 :              -0.00009566665440
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :               0.00007562476507
                   -1 :              -0.00002122633742
                   +0 :               0.00023884214746
                   +1 :              -0.00011278774618
                   +2 :              -0.00027963461314
                6d
                   -2 :               0.00000841217213
                   -1 :               0.00009852771622
                   +0 :              -0.00002264446281
                   +1 :              -0.00000667473211
                   +2 :               0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :               0.00006622290264
                   +1 :               0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :              -0.00000469627966
                   -1 :               0.00005662228001
                   +0 :               0.00012462665193
                   +1 :              -0.00001698839971
                   +2 :              -0.00006267875334
                   +3 :              -0.00011728932222
             27 vec=    10.719566     -7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :              -0.00002853504816
                   +1 :              -0.00009566665440
                6s
                   +0 :               0.00031260696323
                7s
                   +0 :              -0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :              -0.00002122633742
                   +0 :              -0.00023884214746
                   +1 :              -0.00011278774618
                   +2 :               0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :               0.00009852771622
                   +0 :               0.00002264446281
                   +1 :              -0.00000667473211
                   +2 :              -0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :              -0.00006622290264
                   +1 :               0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :               0.00000469627966
                   -1 :               0.00005662228001
                   +0 :              -0.00012462665193
                   +1 :              -0.00001698839971
                   +2 :               0.00006267875334
                   +3 :              -0.00011728932222
             28 vec=    10.719566      7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00010755517421
                5p
                   -1 :               0.00006939723409
                   +0 :               0.00002853504816
                   +1 :               0.00009566665440
                6s
                   +0 :              -0.00031260696323
                7s
                   +0 :               0.00005402664425
                5d
                   -2 :              -0.00007562476507
                   -1 :              -0.00002122633742
                   +0 :               0.00023884214746
                   +1 :               0.00011278774618
                   +2 :              -0.00027963461314
                6d
                   -2 :              -0.00000841217213
                   -1 :               0.00009852771622
                   +0 :              -0.00002264446281
                   +1 :               0.00000667473211
                   +2 :               0.00007360012505
                6p
                   -1 :              -0.00001211100296
                   +0 :               0.00006622290264
                   +1 :              -0.00005335125765
                4f
                   -3 :               0.00000700462699
                   -2 :               0.00000469627966
                   -1 :               0.00005662228001
                   +0 :               0.00012462665193
                   +1 :               0.00001698839971
                   +2 :              -0.00006267875334
                   +3 :               0.00011728932222
             29 vec=    -3.573189      0.000000     16.023305   |vec|=   16.416881
                5p
                   -1 :               0.00007131822625
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00061539517447
                   -1 :              -0.00022604735821
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00001971802257
                   -1 :               0.00000595408806
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000065803059
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00031385919871
                   -2 :               0.00041966478424
                   -1 :              -0.00002077717309
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             30 vec=     3.573189      0.000000     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00007131822625
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00061539517447
                   -1 :              -0.00022604735821
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00001971802257
                   -1 :               0.00000595408806
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000065803059
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00031385919871
                   -2 :              -0.00041966478424
                   -1 :              -0.00002077717309
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             31 vec=    -3.573189    -14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :              -0.00006433404827
                   +1 :              -0.00004776242883
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :              -0.00015449133881
                   +0 :               0.00005300205466
                   +1 :              -0.00014135525476
                   +2 :               0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :               0.00006517506339
                   +0 :              -0.00001377060824
                   +1 :               0.00008451804151
                   +2 :              -0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :               0.00001129128868
                   +1 :               0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :              -0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :               0.00004750541952
                   +1 :              -0.00010621877701
                   +2 :               0.00016970867953
                   +3 :               0.00002612679189
             32 vec=    -3.573189     14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :               0.00006433404827
                   +1 :               0.00004776242883
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :               0.00013947724999
                   -1 :              -0.00015449133881
                   +0 :              -0.00005300205466
                   +1 :               0.00014135525476
                   +2 :              -0.00042843525495
                6d
                   -2 :              -0.00008776427080
                   -1 :               0.00006517506339
                   +0 :               0.00001377060824
                   +1 :              -0.00008451804151
                   +2 :               0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :              -0.00001129128868
                   +1 :              -0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :              -0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :              -0.00004750541952
                   +1 :               0.00010621877701
                   +2 :              -0.00016970867953
                   +3 :              -0.00002612679189
             33 vec=     3.573189    -14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :              -0.00006433404827
                   +1 :               0.00004776242883
                6s
                   +0 :               0.00011609650261
                7s
                   +0 :              -0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :              -0.00015449133881
                   +0 :               0.00005300205466
                   +1 :               0.00014135525476
                   +2 :               0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :               0.00006517506339
                   +0 :              -0.00001377060824
                   +1 :              -0.00008451804151
                   +2 :              -0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :               0.00001129128868
                   +1 :              -0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :               0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :               0.00004750541952
                   +1 :               0.00010621877701
                   +2 :               0.00016970867953
                   +3 :              -0.00002612679189
             34 vec=     3.573189     14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00001528744480
                5p
                   -1 :              -0.00000670874585
                   +0 :               0.00006433404827
                   +1 :              -0.00004776242883
                6s
                   +0 :              -0.00011609650261
                7s
                   +0 :               0.00003346998918
                5d
                   -2 :              -0.00013947724999
                   -1 :              -0.00015449133881
                   +0 :              -0.00005300205466
                   +1 :              -0.00014135525476
                   +2 :              -0.00042843525495
                6d
                   -2 :               0.00008776427080
                   -1 :               0.00006517506339
                   +0 :               0.00001377060824
                   +1 :               0.00008451804151
                   +2 :               0.00010930529258
                6p
                   -1 :              -0.00005336810146
                   +0 :              -0.00001129128868
                   +1 :               0.00005114275561
                4f
                   -3 :               0.00012661669167
                   -2 :               0.00003274423702
                   -1 :              -0.00002798754057
                   +0 :              -0.00004750541952
                   +1 :              -0.00010621877701
                   +2 :              -0.00016970867953
                   +3 :               0.00002612679189
             35 vec=    -3.573189     -7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :              -0.00000009768954
                   +1 :              -0.00004259574265
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :               0.00003505856761
                   +0 :               0.00022132207386
                   +1 :              -0.00004305684021
                   +2 :               0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :              -0.00001324673220
                   +0 :              -0.00016316445736
                   +1 :               0.00007140764005
                   +2 :              -0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :               0.00006046036743
                   +1 :               0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :              -0.00016292957083
                   -1 :               0.00008614529198
                   +0 :              -0.00008627326517
                   +1 :               0.00008215344446
                   +2 :              -0.00002039519098
                   +3 :              -0.00014874319955
             36 vec=    -3.573189      7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :               0.00000009768954
                   +1 :               0.00004259574265
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :               0.00022038777649
                   -1 :               0.00003505856761
                   +0 :              -0.00022132207386
                   +1 :               0.00004305684021
                   +2 :              -0.00012829895357
                6d
                   -2 :               0.00005550333405
                   -1 :              -0.00001324673220
                   +0 :               0.00016316445736
                   +1 :              -0.00007140764005
                   +2 :               0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :              -0.00006046036743
                   +1 :              -0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :              -0.00016292957083
                   -1 :               0.00008614529198
                   +0 :               0.00008627326517
                   +1 :              -0.00008215344446
                   +2 :               0.00002039519098
                   +3 :               0.00014874319955
             37 vec=     3.573189     -7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :              -0.00000009768954
                   +1 :               0.00004259574265
                6s
                   +0 :              -0.00017436270082
                7s
                   +0 :               0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :               0.00003505856761
                   +0 :               0.00022132207386
                   +1 :               0.00004305684021
                   +2 :               0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :              -0.00001324673220
                   +0 :              -0.00016316445736
                   +1 :              -0.00007140764005
                   +2 :              -0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :               0.00006046036743
                   +1 :              -0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :               0.00016292957083
                   -1 :               0.00008614529198
                   +0 :              -0.00008627326517
                   +1 :              -0.00008215344446
                   +2 :              -0.00002039519098
                   +3 :               0.00014874319955
             38 vec=     3.573189      7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00011581002348
                5p
                   -1 :               0.00000362869986
                   +0 :               0.00000009768954
                   +1 :              -0.00004259574265
                6s
                   +0 :               0.00017436270082
                7s
                   +0 :              -0.00008284528111
                5d
                   -2 :              -0.00022038777649
                   -1 :               0.00003505856761
                   +0 :              -0.00022132207386
                   +1 :              -0.00004305684021
                   +2 :              -0.00012829895357
                6d
                   -2 :              -0.00005550333405
                   -1 :              -0.00001324673220
                   +0 :               0.00016316445736
                   +1 :               0.00007140764005
                   +2 :               0.00003948645383
                6p
                   -1 :               0.00000005607222
                   +0 :              -0.00006046036743
                   +1 :               0.00003970843278
                4f
                   -3 :               0.00018005522158
                   -2 :               0.00016292957083
                   -1 :               0.00008614529198
                   +0 :               0.00008627326517
                   +1 :               0.00008215344446
                   +2 :               0.00002039519098
                   +3 :              -0.00014874319955
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site Cu(  3)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                3p
                   -1 :               0.00892041619243
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.04001051704819
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00883579829199
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.02938334030443
                   +1 :              -0.00000000000000
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                3p
                   -1 :               0.00892041619243
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.04001051704819
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00883579829199
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.02938334030443
                   +1 :              -0.00000000000000
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00120277734334
                3p
                   -1 :              -0.00044687360796
                   +0 :              -0.00000000000000
                   +1 :               0.00013307496451
                4s
                   +0 :               0.00447223586781
                5s
                   +0 :               0.00100423117446
                3d
                   -2 :              -0.00296292153039
                   -1 :              -0.00000000000000
                   +0 :              -0.00017680596265
                   +1 :              -0.00000000000000
                   +2 :              -0.00088461988232
                4d
                   -2 :              -0.00048404263425
                   -1 :              -0.00000000000000
                   +0 :              -0.00021245701418
                   +1 :              -0.00000000000000
                   +2 :              -0.00029894254343
                4p
                   -1 :              -0.00201983090471
                   +0 :              -0.00000000000000
                   +1 :               0.00265692211155
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00120277734334
                3p
                   -1 :              -0.00044687360796
                   +0 :              -0.00000000000000
                   +1 :              -0.00013307496451
                4s
                   +0 :              -0.00447223586781
                5s
                   +0 :              -0.00100423117446
                3d
                   -2 :              -0.00296292153039
                   -1 :              -0.00000000000000
                   +0 :               0.00017680596265
                   +1 :               0.00000000000000
                   +2 :               0.00088461988232
                4d
                   -2 :              -0.00048404263425
                   -1 :              -0.00000000000000
                   +0 :               0.00021245701418
                   +1 :               0.00000000000000
                   +2 :               0.00029894254343
                4p
                   -1 :              -0.00201983090471
                   +0 :               0.00000000000000
                   +1 :              -0.00265692211155
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00120277734334
                3p
                   -1 :              -0.00044687360796
                   +0 :              -0.00000000000000
                   +1 :              -0.00013307496451
                4s
                   +0 :               0.00447223586781
                5s
                   +0 :               0.00100423117446
                3d
                   -2 :               0.00296292153039
                   -1 :               0.00000000000000
                   +0 :              -0.00017680596265
                   +1 :              -0.00000000000000
                   +2 :              -0.00088461988232
                4d
                   -2 :               0.00048404263425
                   -1 :               0.00000000000000
                   +0 :              -0.00021245701418
                   +1 :              -0.00000000000000
                   +2 :              -0.00029894254343
                4p
                   -1 :              -0.00201983090471
                   +0 :              -0.00000000000000
                   +1 :              -0.00265692211155
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00120277734334
                3p
                   -1 :              -0.00044687360796
                   +0 :              -0.00000000000000
                   +1 :               0.00013307496451
                4s
                   +0 :              -0.00447223586781
                5s
                   +0 :              -0.00100423117446
                3d
                   -2 :               0.00296292153039
                   -1 :               0.00000000000000
                   +0 :               0.00017680596265
                   +1 :               0.00000000000000
                   +2 :               0.00088461988232
                4d
                   -2 :               0.00048404263425
                   -1 :               0.00000000000000
                   +0 :               0.00021245701418
                   +1 :               0.00000000000000
                   +2 :               0.00029894254343
                4p
                   -1 :              -0.00201983090471
                   +0 :              -0.00000000000000
                   +1 :               0.00265692211155
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                3p
                   -1 :               0.00010264920088
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00068393085343
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00029434921569
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00108888738927
                   +1 :              -0.00000000000000
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                3p
                   -1 :               0.00010264920088
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00068393085343
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00029434921569
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00108888738927
                   +1 :              -0.00000000000000
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00002808067536
                3p
                   -1 :              -0.00000474881255
                   +1 :              -0.00004397585432
                4s
                   +0 :               0.00170832149688
                5s
                   +0 :               0.00020114964138
                3d
                   -2 :              -0.00024073610125
                   -1 :              -0.00000000000000
                   +0 :               0.00012295588062
                   +1 :               0.00000000000000
                   +2 :               0.00045364615008
                4d
                   -2 :              -0.00008151036347
                   -1 :               0.00000000000000
                   +0 :              -0.00000947072673
                   +1 :               0.00000000000000
                   +2 :               0.00013136178788
                4p
                   -1 :               0.00061803801267
                   +0 :              -0.00000000000000
                   +1 :              -0.00119364275242
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00002808067536
                3p
                   -1 :              -0.00000474881255
                   +0 :              -0.00000000000000
                   +1 :               0.00004397585432
                4s
                   +0 :              -0.00170832149688
                5s
                   +0 :              -0.00020114964138
                3d
                   -2 :              -0.00024073610125
                   -1 :              -0.00000000000000
                   +0 :              -0.00012295588062
                   +1 :              -0.00000000000000
                   +2 :              -0.00045364615008
                4d
                   -2 :              -0.00008151036347
                   -1 :              -0.00000000000000
                   +0 :               0.00000947072673
                   +1 :              -0.00000000000000
                   +2 :              -0.00013136178788
                4p
                   -1 :               0.00061803801267
                   +0 :               0.00000000000000
                   +1 :               0.00119364275242
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00002808067536
                3p
                   -1 :              -0.00000474881255
                   +1 :               0.00004397585432
                4s
                   +0 :               0.00170832149688
                5s
                   +0 :               0.00020114964138
                3d
                   -2 :               0.00024073610125
                   -1 :               0.00000000000000
                   +0 :               0.00012295588062
                   +1 :               0.00000000000000
                   +2 :               0.00045364615008
                4d
                   -2 :               0.00008151036347
                   -1 :               0.00000000000000
                   +0 :              -0.00000947072673
                   +1 :               0.00000000000000
                   +2 :               0.00013136178788
                4p
                   -1 :               0.00061803801267
                   +0 :               0.00000000000000
                   +1 :               0.00119364275242
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00002808067536
                3p
                   -1 :              -0.00000474881255
                   +1 :              -0.00004397585432
                4s
                   +0 :              -0.00170832149688
                5s
                   +0 :              -0.00020114964138
                3d
                   -2 :               0.00024073610125
                   -1 :               0.00000000000000
                   +0 :              -0.00012295588062
                   +1 :              -0.00000000000000
                   +2 :              -0.00045364615008
                4d
                   -2 :               0.00008151036347
                   -1 :              -0.00000000000000
                   +0 :               0.00000947072673
                   +1 :              -0.00000000000000
                   +2 :              -0.00013136178788
                4p
                   -1 :               0.00061803801267
                   +0 :              -0.00000000000000
                   +1 :              -0.00119364275242
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00061217606405
                3p
                   -1 :               0.00006755202201
                   +0 :              -0.00042578716691
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00100968445350
                5s
                   +0 :               0.00086392961712
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00068468544765
                   +0 :               0.00198754266458
                   +1 :              -0.00000000000000
                   +2 :               0.00024487877952
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00015701704621
                   +0 :               0.00026616326642
                   +1 :              -0.00000000000000
                   +2 :               0.00004440180592
                4p
                   -1 :              -0.00006484104758
                   +0 :              -0.00209036459852
                   +1 :               0.00000000000000
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00061217606405
                3p
                   -1 :               0.00006755202201
                   +0 :               0.00042578716691
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00100968445350
                5s
                   +0 :               0.00086392961712
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00068468544765
                   +0 :               0.00198754266458
                   +1 :               0.00000000000000
                   +2 :               0.00024487877952
                4d
                   -1 :              -0.00015701704621
                   +0 :               0.00026616326642
                   +1 :               0.00000000000000
                   +2 :               0.00004440180592
                4p
                   -1 :              -0.00006484104758
                   +0 :               0.00209036459852
                   +1 :              -0.00000000000000
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00061217606405
                3p
                   -1 :               0.00006755202201
                   +0 :               0.00042578716691
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00100968445350
                5s
                   +0 :              -0.00086392961712
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00068468544765
                   +0 :              -0.00198754266458
                   +1 :              -0.00000000000000
                   +2 :              -0.00024487877952
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00015701704621
                   +0 :              -0.00026616326642
                   +1 :              -0.00000000000000
                   +2 :              -0.00004440180592
                4p
                   -1 :              -0.00006484104758
                   +0 :               0.00209036459852
                   +1 :              -0.00000000000000
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00061217606405
                3p
                   -1 :               0.00006755202201
                   +0 :              -0.00042578716691
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00100968445350
                5s
                   +0 :              -0.00086392961712
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00068468544765
                   +0 :              -0.00198754266458
                   +1 :               0.00000000000000
                   +2 :              -0.00024487877952
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00015701704621
                   +0 :              -0.00026616326642
                   +1 :               0.00000000000000
                   +2 :              -0.00004440180592
                4p
                   -1 :              -0.00006484104758
                   +0 :              -0.00209036459852
                   +1 :               0.00000000000000
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00009365397597
                3p
                   -1 :              -0.00005363369539
                   +0 :              -0.00000000000000
                   +1 :               0.00004547468112
                4s
                   +0 :              -0.00039756537273
                5s
                   +0 :               0.00024528496137
                3d
                   -2 :               0.00021066385788
                   -1 :              -0.00000000000000
                   +0 :              -0.00003066745505
                   +1 :              -0.00000000000000
                   +2 :              -0.00007982609889
                4d
                   -2 :              -0.00001037213154
                   -1 :              -0.00000000000000
                   +0 :               0.00002012389586
                   +1 :              -0.00000000000000
                   +2 :               0.00005500761624
                4p
                   -1 :               0.00007861283856
                   +0 :               0.00000000000000
                   +1 :              -0.00006173204316
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00009365397597
                3p
                   -1 :              -0.00005363369539
                   +0 :              -0.00000000000000
                   +1 :              -0.00004547468112
                4s
                   +0 :               0.00039756537273
                5s
                   +0 :              -0.00024528496137
                3d
                   -2 :               0.00021066385788
                   +0 :               0.00003066745505
                   +1 :              -0.00000000000000
                   +2 :               0.00007982609889
                4d
                   -2 :              -0.00001037213154
                   -1 :              -0.00000000000000
                   +0 :              -0.00002012389586
                   +1 :              -0.00000000000000
                   +2 :              -0.00005500761624
                4p
                   -1 :               0.00007861283856
                   +0 :              -0.00000000000000
                   +1 :               0.00006173204316
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00009365397597
                3p
                   -1 :              -0.00005363369539
                   +0 :               0.00000000000000
                   +1 :              -0.00004547468112
                4s
                   +0 :              -0.00039756537273
                5s
                   +0 :               0.00024528496137
                3d
                   -2 :              -0.00021066385788
                   -1 :               0.00000000000000
                   +0 :              -0.00003066745505
                   +1 :               0.00000000000000
                   +2 :              -0.00007982609889
                4d
                   -2 :               0.00001037213154
                   -1 :               0.00000000000000
                   +0 :               0.00002012389586
                   +1 :               0.00000000000000
                   +2 :               0.00005500761624
                4p
                   -1 :               0.00007861283856
                   +0 :              -0.00000000000000
                   +1 :               0.00006173204316
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00009365397597
                3p
                   -1 :              -0.00005363369539
                   +1 :               0.00004547468112
                4s
                   +0 :               0.00039756537273
                5s
                   +0 :              -0.00024528496137
                3d
                   -2 :              -0.00021066385788
                   -1 :              -0.00000000000000
                   +0 :               0.00003066745505
                   +1 :               0.00000000000000
                   +2 :               0.00007982609889
                4d
                   -2 :               0.00001037213154
                   -1 :               0.00000000000000
                   +0 :              -0.00002012389586
                   +1 :               0.00000000000000
                   +2 :              -0.00005500761624
                4p
                   -1 :               0.00007861283856
                   +0 :               0.00000000000000
                   +1 :              -0.00006173204316
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :              -0.00001014435708
                   +1 :               0.00001150539894
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :              -0.00010023234541
                   +0 :               0.00011329301017
                   +1 :              -0.00027158905907
                   +2 :               0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :              -0.00002366341984
                   +0 :              -0.00002426948442
                   +1 :              -0.00005585743608
                   +2 :               0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :               0.00017612950820
                   +1 :              -0.00036014913926
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :               0.00001014435708
                   +1 :               0.00001150539894
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :               0.00010023234541
                   +0 :               0.00011329301017
                   +1 :               0.00027158905907
                   +2 :               0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :               0.00002366341984
                   +0 :              -0.00002426948442
                   +1 :               0.00005585743608
                   +2 :               0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :              -0.00017612950820
                   +1 :              -0.00036014913926
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :               0.00001014435708
                   +1 :              -0.00001150539894
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :              -0.00010023234541
                   +0 :              -0.00011329301017
                   +1 :               0.00027158905907
                   +2 :              -0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :              -0.00002366341984
                   +0 :               0.00002426948442
                   +1 :               0.00005585743608
                   +2 :              -0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :              -0.00017612950820
                   +1 :               0.00036014913926
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :              -0.00001014435708
                   +1 :              -0.00001150539894
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :              -0.00004134831170
                   -1 :               0.00010023234541
                   +0 :              -0.00011329301017
                   +1 :              -0.00027158905907
                   +2 :              -0.00016026426380
                4d
                   -2 :              -0.00001668941147
                   -1 :               0.00002366341984
                   +0 :               0.00002426948442
                   +1 :              -0.00005585743608
                   +2 :              -0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :               0.00017612950820
                   +1 :               0.00036014913926
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :              -0.00001014435708
                   +1 :              -0.00001150539894
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :              -0.00010023234541
                   +0 :               0.00011329301017
                   +1 :               0.00027158905907
                   +2 :               0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :              -0.00002366341984
                   +0 :              -0.00002426948442
                   +1 :               0.00005585743608
                   +2 :               0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :               0.00017612950820
                   +1 :               0.00036014913926
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :               0.00001014435708
                   +1 :              -0.00001150539894
                4s
                   +0 :               0.00037520115286
                5s
                   +0 :               0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :               0.00010023234541
                   +0 :               0.00011329301017
                   +1 :              -0.00027158905907
                   +2 :               0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :               0.00002366341984
                   +0 :              -0.00002426948442
                   +1 :              -0.00005585743608
                   +2 :               0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :              -0.00017612950820
                   +1 :               0.00036014913926
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :               0.00001014435708
                   +1 :               0.00001150539894
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :              -0.00010023234541
                   +0 :              -0.00011329301017
                   +1 :              -0.00027158905907
                   +2 :              -0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :              -0.00002366341984
                   +0 :               0.00002426948442
                   +1 :              -0.00005585743608
                   +2 :              -0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :              -0.00017612950820
                   +1 :              -0.00036014913926
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00000404709458
                3p
                   -1 :              -0.00002941503838
                   +0 :              -0.00001014435708
                   +1 :               0.00001150539894
                4s
                   +0 :              -0.00037520115286
                5s
                   +0 :              -0.00004168823841
                3d
                   -2 :               0.00004134831170
                   -1 :               0.00010023234541
                   +0 :              -0.00011329301017
                   +1 :               0.00027158905907
                   +2 :              -0.00016026426380
                4d
                   -2 :               0.00001668941147
                   -1 :               0.00002366341984
                   +0 :               0.00002426948442
                   +1 :               0.00005585743608
                   +2 :              -0.00001820171566
                4p
                   -1 :               0.00005745672341
                   +0 :               0.00017612950820
                   +1 :              -0.00036014913926
             29 vec=     0.000000    -10.719566    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00030975346180
                3p
                   -1 :               0.00002404186206
                   +0 :               0.00007135905906
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00162716181626
                5s
                   +0 :              -0.00036284342865
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00020045236437
                   +0 :               0.00002842075017
                   +1 :               0.00000000000000
                   +2 :              -0.00011489420607
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000103011986
                   +0 :              -0.00003863314524
                   +1 :               0.00000000000000
                   +2 :              -0.00000456470108
                4p
                   -1 :              -0.00043081801543
                   +0 :              -0.00007851614204
                   +1 :               0.00000000000000
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00030975346180
                3p
                   -1 :               0.00002404186206
                   +0 :              -0.00007135905906
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00162716181626
                5s
                   +0 :              -0.00036284342865
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00020045236437
                   +0 :               0.00002842075017
                   +1 :              -0.00000000000000
                   +2 :              -0.00011489420607
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000103011986
                   +0 :              -0.00003863314524
                   +1 :              -0.00000000000000
                   +2 :              -0.00000456470108
                4p
                   -1 :              -0.00043081801543
                   +0 :               0.00007851614204
                   +1 :              -0.00000000000000
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00030975346180
                3p
                   -1 :               0.00002404186206
                   +0 :              -0.00007135905906
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00162716181626
                5s
                   +0 :               0.00036284342865
                3d
                   -1 :              -0.00020045236437
                   +0 :              -0.00002842075017
                   +1 :               0.00000000000000
                   +2 :               0.00011489420607
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000103011986
                   +0 :               0.00003863314524
                   +1 :               0.00000000000000
                   +2 :               0.00000456470108
                4p
                   -1 :              -0.00043081801543
                   +0 :               0.00007851614204
                   +1 :              -0.00000000000000
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00030975346180
                3p
                   -1 :               0.00002404186206
                   +0 :               0.00007135905906
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00162716181626
                5s
                   +0 :               0.00036284342865
                3d
                   -1 :               0.00020045236437
                   +0 :              -0.00002842075017
                   +1 :              -0.00000000000000
                   +2 :               0.00011489420607
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000103011986
                   +0 :               0.00003863314524
                   +1 :              -0.00000000000000
                   +2 :               0.00000456470108
                4p
                   -1 :              -0.00043081801543
                   +0 :              -0.00007851614204
                   +1 :               0.00000000000000
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000707317421
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00004566993337
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000036454992
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00004595625554
                   +1 :              -0.00000000000000
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000252586380
                3p
                   -1 :               0.00002608213655
                   +0 :               0.00000000000000
                   +1 :               0.00004436736859
                4s
                   +0 :              -0.00011221778958
                5s
                   +0 :               0.00038709018249
                3d
                   -2 :               0.00004317729265
                   -1 :              -0.00000000000000
                   +0 :               0.00008782421092
                   +1 :              -0.00000000000000
                   +2 :              -0.00008489454909
                4d
                   -2 :              -0.00002281637148
                   -1 :              -0.00000000000000
                   +0 :               0.00002839719460
                   +1 :               0.00000000000000
                   +2 :              -0.00002533532277
                4p
                   -1 :              -0.00028443792945
                   +0 :               0.00000000000000
                   +1 :               0.00006471181356
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000252586380
                3p
                   -1 :               0.00002608213655
                   +0 :               0.00000000000000
                   +1 :              -0.00004436736859
                4s
                   +0 :               0.00011221778958
                5s
                   +0 :              -0.00038709018249
                3d
                   -2 :               0.00004317729265
                   -1 :              -0.00000000000000
                   +0 :              -0.00008782421092
                   +1 :               0.00000000000000
                   +2 :               0.00008489454909
                4d
                   -2 :              -0.00002281637148
                   -1 :              -0.00000000000000
                   +0 :              -0.00002839719460
                   +1 :              -0.00000000000000
                   +2 :               0.00002533532277
                4p
                   -1 :              -0.00028443792945
                   +0 :               0.00000000000000
                   +1 :              -0.00006471181356
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000252586380
                3p
                   -1 :               0.00002608213655
                   +0 :               0.00000000000000
                   +1 :              -0.00004436736859
                4s
                   +0 :              -0.00011221778958
                5s
                   +0 :               0.00038709018249
                3d
                   -2 :              -0.00004317729265
                   -1 :               0.00000000000000
                   +0 :               0.00008782421092
                   +1 :              -0.00000000000000
                   +2 :              -0.00008489454909
                4d
                   -2 :               0.00002281637148
                   -1 :               0.00000000000000
                   +0 :               0.00002839719460
                   +1 :               0.00000000000000
                   +2 :              -0.00002533532277
                4p
                   -1 :              -0.00028443792945
                   +0 :              -0.00000000000000
                   +1 :              -0.00006471181356
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000252586380
                3p
                   -1 :               0.00002608213655
                   +1 :               0.00004436736859
                4s
                   +0 :               0.00011221778958
                5s
                   +0 :              -0.00038709018249
                3d
                   -2 :              -0.00004317729265
                   -1 :               0.00000000000000
                   +0 :              -0.00008782421092
                   +1 :               0.00000000000000
                   +2 :               0.00008489454909
                4d
                   -2 :               0.00002281637148
                   -1 :               0.00000000000000
                   +0 :              -0.00002839719460
                   +1 :              -0.00000000000000
                   +2 :               0.00002533532277
                4p
                   -1 :              -0.00028443792945
                   +0 :              -0.00000000000000
                   +1 :               0.00006471181356
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000707317421
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00004566993337
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000036454992
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00004595625554
                   +1 :              -0.00000000000000
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :               0.00003464039020
                   +1 :               0.00001141463678
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :               0.00002173749794
                   +0 :              -0.00002965549698
                   +1 :               0.00001204981219
                   +2 :              -0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :              -0.00002773024760
                   +0 :               0.00000610381484
                   +1 :              -0.00004700182035
                   +2 :              -0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :              -0.00002539083207
                   +1 :               0.00004825150323
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :              -0.00003464039020
                   +1 :               0.00001141463678
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :              -0.00002173749794
                   +0 :              -0.00002965549698
                   +1 :              -0.00001204981219
                   +2 :              -0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :               0.00002773024760
                   +0 :               0.00000610381484
                   +1 :               0.00004700182035
                   +2 :              -0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :               0.00002539083207
                   +1 :               0.00004825150323
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :              -0.00003464039020
                   +1 :              -0.00001141463678
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :               0.00002173749794
                   +0 :               0.00002965549698
                   +1 :              -0.00001204981219
                   +2 :               0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :              -0.00002773024760
                   +0 :              -0.00000610381484
                   +1 :               0.00004700182035
                   +2 :               0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :               0.00002539083207
                   +1 :              -0.00004825150323
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :               0.00003464039020
                   +1 :              -0.00001141463678
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :              -0.00002260900729
                   -1 :              -0.00002173749794
                   +0 :               0.00002965549698
                   +1 :               0.00001204981219
                   +2 :               0.00003292448054
                4d
                   -2 :              -0.00000226011507
                   -1 :               0.00002773024760
                   +0 :              -0.00000610381484
                   +1 :              -0.00004700182035
                   +2 :               0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :              -0.00002539083207
                   +1 :              -0.00004825150323
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :               0.00003464039020
                   +1 :              -0.00001141463678
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :               0.00002173749794
                   +0 :              -0.00002965549698
                   +1 :              -0.00001204981219
                   +2 :              -0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :              -0.00002773024760
                   +0 :               0.00000610381484
                   +1 :               0.00004700182035
                   +2 :              -0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :              -0.00002539083207
                   +1 :              -0.00004825150323
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :              -0.00003464039020
                   +1 :              -0.00001141463678
                4s
                   +0 :              -0.00038703109400
                5s
                   +0 :               0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :              -0.00002173749794
                   +0 :              -0.00002965549698
                   +1 :               0.00001204981219
                   +2 :              -0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :               0.00002773024760
                   +0 :               0.00000610381484
                   +1 :              -0.00004700182035
                   +2 :              -0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :               0.00002539083207
                   +1 :              -0.00004825150323
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :              -0.00003464039020
                   +1 :               0.00001141463678
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :               0.00002173749794
                   +0 :               0.00002965549698
                   +1 :               0.00001204981219
                   +2 :               0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :              -0.00002773024760
                   +0 :              -0.00000610381484
                   +1 :              -0.00004700182035
                   +2 :               0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :               0.00002539083207
                   +1 :               0.00004825150323
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00006010621987
                3p
                   -1 :               0.00002581493387
                   +0 :               0.00003464039020
                   +1 :               0.00001141463678
                4s
                   +0 :               0.00038703109400
                5s
                   +0 :              -0.00029650169336
                3d
                   -2 :               0.00002260900729
                   -1 :              -0.00002173749794
                   +0 :               0.00002965549698
                   +1 :              -0.00001204981219
                   +2 :               0.00003292448054
                4d
                   -2 :               0.00000226011507
                   -1 :               0.00002773024760
                   +0 :              -0.00000610381484
                   +1 :               0.00004700182035
                   +2 :               0.00000878182830
                4p
                   -1 :               0.00001625926882
                   +0 :              -0.00002539083207
                   +1 :               0.00004825150323
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site O (  4)  npairs=  34
              1 vec=    -3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00260800321769
                2s
                   +0 :              -0.04755957269383
                3s
                   +0 :               0.00716808020829
                2p
                   -1 :               0.03098952067701
                   +0 :               0.00000000000000
                   +1 :               0.02747710540974
                3p
                   -1 :              -0.00633906403385
                   +1 :              -0.00477938713041
                3d
                   -2 :              -0.00165180018913
                   -1 :              -0.00000000000000
                   +0 :               0.00163826158610
                   +1 :              -0.00000000000000
                   +2 :              -0.00125252917767
              2 vec=    -3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00260800321769
                2s
                   +0 :               0.04755957269383
                3s
                   +0 :              -0.00716808020829
                2p
                   -1 :               0.03098952067701
                   +1 :              -0.02747710540974
                3p
                   -1 :              -0.00633906403385
                   +1 :               0.00477938713041
                3d
                   -2 :              -0.00165180018913
                   -1 :              -0.00000000000000
                   +0 :              -0.00163826158610
                   +1 :               0.00000000000000
                   +2 :               0.00125252917767
              3 vec=     3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00260800321769
                2s
                   +0 :              -0.04755957269383
                3s
                   +0 :               0.00716808020829
                2p
                   -1 :               0.03098952067701
                   +0 :               0.00000000000000
                   +1 :              -0.02747710540974
                3p
                   -1 :              -0.00633906403385
                   +1 :               0.00477938713041
                3d
                   -2 :               0.00165180018913
                   -1 :               0.00000000000000
                   +0 :               0.00163826158610
                   +1 :              -0.00000000000000
                   +2 :              -0.00125252917767
              4 vec=     3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00260800321769
                2s
                   +0 :               0.04755957269383
                3s
                   +0 :              -0.00716808020829
                2p
                   -1 :               0.03098952067701
                   +0 :              -0.00000000000000
                   +1 :               0.02747710540974
                3p
                   -1 :              -0.00633906403385
                   +1 :              -0.00477938713041
                3d
                   -2 :               0.00165180018913
                   -1 :               0.00000000000000
                   +0 :              -0.00163826158610
                   +1 :               0.00000000000000
                   +2 :               0.00125252917767
              5 vec=   -10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006723194840
                2s
                   +0 :               0.00082579831430
                3s
                   +0 :              -0.00013749506012
                2p
                   -1 :              -0.00109399551088
                   +0 :              -0.00000000000000
                   +1 :              -0.00040632258169
                3p
                   -1 :               0.00011634156605
                   +0 :               0.00000000000000
                   +1 :              -0.00030818598584
                3d
                   -2 :               0.00006823090839
                   -1 :              -0.00000000000000
                   +0 :              -0.00003465360377
                   +1 :               0.00000000000000
                   +2 :               0.00009908640311
              6 vec=   -10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006723194840
                2s
                   +0 :              -0.00082579831430
                3s
                   +0 :               0.00013749506012
                2p
                   -1 :              -0.00109399551088
                   +0 :               0.00000000000000
                   +1 :               0.00040632258169
                3p
                   -1 :               0.00011634156605
                   +1 :               0.00030818598584
                3d
                   -2 :               0.00006823090839
                   -1 :              -0.00000000000000
                   +0 :               0.00003465360377
                   +1 :              -0.00000000000000
                   +2 :              -0.00009908640311
              7 vec=    -3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00003902369233
                2s
                   +0 :               0.00003444219295
                3s
                   +0 :              -0.00026905981057
                2p
                   -1 :               0.00092468135660
                   +1 :              -0.00074174529234
                3p
                   -1 :              -0.00013027194189
                   +1 :               0.00020542931019
                3d
                   -2 :               0.00006587032792
                   -1 :               0.00000000000000
                   +0 :              -0.00005441267439
                   +2 :               0.00005084919233
              8 vec=    -3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00003902369233
                2s
                   +0 :              -0.00003444219295
                3s
                   +0 :               0.00026905981057
                2p
                   -1 :               0.00092468135660
                   +0 :               0.00000000000000
                   +1 :               0.00074174529234
                3p
                   -1 :              -0.00013027194189
                   +0 :               0.00000000000000
                   +1 :              -0.00020542931019
                3d
                   -2 :               0.00006587032792
                   -1 :               0.00000000000000
                   +0 :               0.00005441267439
                   +1 :              -0.00000000000000
                   +2 :              -0.00005084919233
              9 vec=     3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00003902369233
                2s
                   +0 :               0.00003444219295
                3s
                   +0 :              -0.00026905981057
                2p
                   -1 :               0.00092468135660
                   +1 :               0.00074174529234
                3p
                   -1 :              -0.00013027194189
                   +0 :              -0.00000000000000
                   +1 :              -0.00020542931019
                3d
                   -2 :              -0.00006587032792
                   -1 :              -0.00000000000000
                   +0 :              -0.00005441267439
                   +1 :               0.00000000000000
                   +2 :               0.00005084919233
             10 vec=     3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00003902369233
                2s
                   +0 :              -0.00003444219295
                3s
                   +0 :               0.00026905981057
                2p
                   -1 :               0.00092468135660
                   +0 :              -0.00000000000000
                   +1 :              -0.00074174529234
                3p
                   -1 :              -0.00013027194189
                   +1 :               0.00020542931019
                3d
                   -2 :              -0.00006587032792
                   -1 :              -0.00000000000000
                   +0 :               0.00005441267439
                   +1 :              -0.00000000000000
                   +2 :              -0.00005084919233
             11 vec=    10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006723194840
                2s
                   +0 :               0.00082579831430
                3s
                   +0 :              -0.00013749506012
                2p
                   -1 :              -0.00109399551088
                   +0 :               0.00000000000000
                   +1 :               0.00040632258169
                3p
                   -1 :               0.00011634156605
                   +1 :               0.00030818598584
                3d
                   -2 :              -0.00006823090839
                   -1 :               0.00000000000000
                   +0 :              -0.00003465360377
                   +1 :               0.00000000000000
                   +2 :               0.00009908640311
             12 vec=    10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006723194840
                2s
                   +0 :              -0.00082579831430
                3s
                   +0 :               0.00013749506012
                2p
                   -1 :              -0.00109399551088
                   +0 :              -0.00000000000000
                   +1 :              -0.00040632258169
                3p
                   -1 :               0.00011634156605
                   +0 :               0.00000000000000
                   +1 :              -0.00030818598584
                3d
                   -2 :              -0.00006823090839
                   -1 :               0.00000000000000
                   +0 :               0.00003465360377
                   +1 :              -0.00000000000000
                   +2 :              -0.00009908640311
             13 vec=     0.000000      0.000000    -12.518207   |vec|=   12.518207
                2p
                   -1 :              -0.00245896170686
                3p
                   -1 :              -0.00038160480854
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00019851754588
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             14 vec=     0.000000      0.000000     12.518207   |vec|=   12.518207
                2p
                   -1 :              -0.00245896170686
                3p
                   -1 :              -0.00038160480854
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00019851754588
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             15 vec=    -7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00015942022539
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000468121675
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000987209550
                   -1 :              -0.00000837820701
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             16 vec=    -7.146377      0.000000     12.518207   |vec|=   14.414445
                2p
                   -1 :              -0.00015942022539
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000468121675
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000987209550
                   -1 :               0.00000837820701
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             17 vec=     0.000000     -7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002360512987
                2s
                   +0 :              -0.00042311069472
                3s
                   +0 :              -0.00009947484025
                2p
                   -1 :               0.00033182671925
                   +0 :               0.00100438398619
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00042456624415
                   +0 :              -0.00036159873265
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00007426338136
                   +0 :               0.00001962410080
                   +1 :              -0.00000000000000
                   +2 :               0.00003210185698
             18 vec=     0.000000     -7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002360512987
                2s
                   +0 :              -0.00042311069472
                3s
                   +0 :              -0.00009947484025
                2p
                   -1 :               0.00033182671925
                   +0 :              -0.00100438398619
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00042456624415
                   +0 :               0.00036159873265
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00007426338136
                   +0 :               0.00001962410080
                   +1 :               0.00000000000000
                   +2 :               0.00003210185698
             19 vec=     0.000000      7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002360512987
                2s
                   +0 :               0.00042311069472
                3s
                   +0 :               0.00009947484025
                2p
                   -1 :               0.00033182671925
                   +0 :              -0.00100438398619
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00042456624415
                   +0 :               0.00036159873265
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00007426338136
                   +0 :              -0.00001962410080
                   +1 :              -0.00000000000000
                   +2 :              -0.00003210185698
             20 vec=     0.000000      7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002360512987
                2s
                   +0 :               0.00042311069472
                3s
                   +0 :               0.00009947484025
                2p
                   -1 :               0.00033182671925
                   +0 :               0.00100438398619
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00042456624415
                   +0 :              -0.00036159873265
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00007426338136
                   +0 :              -0.00001962410080
                   +1 :               0.00000000000000
                   +2 :              -0.00003210185698
             21 vec=     7.146377      0.000000    -12.518207   |vec|=   14.414445
                2p
                   -1 :              -0.00015942022539
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000468121675
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000987209550
                   -1 :              -0.00000837820701
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             22 vec=     7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00015942022539
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000468121675
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000987209550
                   -1 :               0.00000837820701
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             23 vec=   -10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00010553174954
                2s
                   +0 :              -0.00154241195768
                3s
                   +0 :               0.00033078126036
                2p
                   -1 :               0.00071484230890
                   +0 :              -0.00000000000000
                   +1 :               0.00099074602707
                3p
                   -1 :              -0.00006127045837
                   +1 :              -0.00030780395652
                3d
                   -2 :              -0.00005260697386
                   -1 :               0.00000000000000
                   +0 :               0.00003400822184
                   +1 :               0.00000000000000
                   +2 :               0.00003333877628
             24 vec=   -10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00010553174954
                2s
                   +0 :               0.00154241195768
                3s
                   +0 :              -0.00033078126036
                2p
                   -1 :               0.00071484230890
                   +1 :              -0.00099074602707
                3p
                   -1 :              -0.00006127045837
                   +0 :               0.00000000000000
                   +1 :               0.00030780395652
                3d
                   -2 :              -0.00005260697386
                   -1 :               0.00000000000000
                   +0 :              -0.00003400822184
                   +1 :               0.00000000000000
                   +2 :              -0.00003333877628
             25 vec=    10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00010553174954
                2s
                   +0 :              -0.00154241195768
                3s
                   +0 :               0.00033078126036
                2p
                   -1 :               0.00071484230890
                   +0 :              -0.00000000000000
                   +1 :              -0.00099074602707
                3p
                   -1 :              -0.00006127045837
                   +0 :               0.00000000000000
                   +1 :               0.00030780395652
                3d
                   -2 :               0.00005260697386
                   -1 :              -0.00000000000000
                   +0 :               0.00003400822184
                   +1 :              -0.00000000000000
                   +2 :               0.00003333877628
             26 vec=    10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00010553174954
                2s
                   +0 :               0.00154241195768
                3s
                   +0 :              -0.00033078126036
                2p
                   -1 :               0.00071484230890
                   +0 :               0.00000000000000
                   +1 :               0.00099074602707
                3p
                   -1 :              -0.00006127045837
                   +1 :              -0.00030780395652
                3d
                   -2 :               0.00005260697386
                   -1 :              -0.00000000000000
                   +0 :              -0.00003400822184
                   +1 :              -0.00000000000000
                   +2 :              -0.00003333877628
             27 vec=    -7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :               0.00030274895661
                   +1 :               0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :              -0.00043174302557
                   +1 :              -0.00042217188828
                3d
                   -2 :              -0.00001739053839
                   -1 :              -0.00001323563376
                   +0 :               0.00003142323998
                   +1 :               0.00010499263897
                   +2 :               0.00005232812563
             28 vec=    -7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :              -0.00030274895661
                   +1 :               0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :               0.00043174302557
                   +1 :              -0.00042217188828
                3d
                   -2 :              -0.00001739053839
                   -1 :               0.00001323563376
                   +0 :               0.00003142323998
                   +1 :              -0.00010499263897
                   +2 :               0.00005232812563
             29 vec=    -7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :              -0.00030274895661
                   +1 :              -0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :               0.00043174302557
                   +1 :               0.00042217188828
                3d
                   -2 :              -0.00001739053839
                   -1 :              -0.00001323563376
                   +0 :              -0.00003142323998
                   +1 :              -0.00010499263897
                   +2 :              -0.00005232812563
             30 vec=    -7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :               0.00030274895661
                   +1 :              -0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :              -0.00043174302557
                   +1 :               0.00042217188828
                3d
                   -2 :              -0.00001739053839
                   -1 :               0.00001323563376
                   +0 :              -0.00003142323998
                   +1 :               0.00010499263897
                   +2 :              -0.00005232812563
             31 vec=     7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :               0.00030274895661
                   +1 :              -0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :              -0.00043174302557
                   +1 :               0.00042217188828
                3d
                   -2 :               0.00001739053839
                   -1 :              -0.00001323563376
                   +0 :               0.00003142323998
                   +1 :              -0.00010499263897
                   +2 :               0.00005232812563
             32 vec=     7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000991791093
                2s
                   +0 :              -0.00028319302107
                3s
                   +0 :               0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :              -0.00030274895661
                   +1 :              -0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :               0.00043174302557
                   +1 :               0.00042217188828
                3d
                   -2 :               0.00001739053839
                   -1 :               0.00001323563376
                   +0 :               0.00003142323998
                   +1 :               0.00010499263897
                   +2 :               0.00005232812563
             33 vec=     7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :              -0.00030274895661
                   +1 :               0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :               0.00043174302557
                   +1 :              -0.00042217188828
                3d
                   -2 :               0.00001739053839
                   -1 :              -0.00001323563376
                   +0 :              -0.00003142323998
                   +1 :               0.00010499263897
                   +2 :              -0.00005232812563
             34 vec=     7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000991791093
                2s
                   +0 :               0.00028319302107
                3s
                   +0 :              -0.00025553414811
                2p
                   -1 :               0.00023341088524
                   +0 :               0.00030274895661
                   +1 :               0.00032892423329
                3p
                   -1 :              -0.00003196116389
                   +0 :              -0.00043174302557
                   +1 :              -0.00042217188828
                3d
                   -2 :               0.00001739053839
                   -1 :               0.00001323563376
                   +0 :              -0.00003142323998
                   +1 :              -0.00010499263897
                   +2 :              -0.00005232812563
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site O (  5)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.93834854686681
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.07872435566033
                   +1 :               0.00000000000000
                3d
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00343283901656
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00014898376028
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00120829647027
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00038741433632
                2s
                   +0 :               0.00854042994979
                3s
                   +0 :              -0.00086988255143
                2p
                   -1 :              -0.00238767148824
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00076547772893
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00006148276416
                   +1 :               0.00000000000000
                   +2 :              -0.00055165255880
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00038741433632
                2s
                   +0 :              -0.00854042994979
                3s
                   +0 :               0.00086988255143
                2p
                   -1 :              -0.00238767148824
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00076547772893
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00006148276416
                   +1 :              -0.00000000000000
                   +2 :               0.00055165255880
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00343283901656
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00014898376028
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00120829647027
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00039317944757
                2s
                   +0 :              -0.00536952612404
                3s
                   +0 :               0.00063670133642
                2p
                   -1 :               0.00292295336453
                   +0 :               0.00000000000000
                   +1 :               0.00427272256578
                3p
                   -1 :              -0.00021069563093
                   +0 :              -0.00000000000000
                   +1 :              -0.00014000892689
                3d
                   -2 :              -0.00023626166300
                   -1 :               0.00000000000000
                   +0 :               0.00011727540056
                   +1 :               0.00000000000000
                   +2 :              -0.00003088460459
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00039317944757
                2s
                   +0 :               0.00536952612404
                3s
                   +0 :              -0.00063670133642
                2p
                   -1 :               0.00292295336453
                   +0 :               0.00000000000000
                   +1 :              -0.00427272256578
                3p
                   -1 :              -0.00021069563093
                   +0 :              -0.00000000000000
                   +1 :               0.00014000892689
                3d
                   -2 :              -0.00023626166300
                   -1 :              -0.00000000000000
                   +0 :              -0.00011727540056
                   +1 :              -0.00000000000000
                   +2 :               0.00003088460459
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00039317944757
                2s
                   +0 :              -0.00536952612404
                3s
                   +0 :               0.00063670133642
                2p
                   -1 :               0.00292295336453
                   +0 :               0.00000000000000
                   +1 :              -0.00427272256578
                3p
                   -1 :              -0.00021069563093
                   +1 :               0.00014000892689
                3d
                   -2 :               0.00023626166300
                   -1 :               0.00000000000000
                   +0 :               0.00011727540056
                   +1 :               0.00000000000000
                   +2 :              -0.00003088460459
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00039317944757
                2s
                   +0 :               0.00536952612404
                3s
                   +0 :              -0.00063670133642
                2p
                   -1 :               0.00292295336453
                   +0 :              -0.00000000000000
                   +1 :               0.00427272256578
                3p
                   -1 :              -0.00021069563093
                   +1 :              -0.00014000892689
                3d
                   -2 :               0.00023626166300
                   -1 :              -0.00000000000000
                   +0 :              -0.00011727540056
                   +1 :              -0.00000000000000
                   +2 :               0.00003088460459
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :               0.00115858850346
                   +1 :               0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :              -0.00014818295708
                   +1 :               0.00028603368090
                3d
                   -2 :               0.00001147503798
                   -1 :              -0.00002942130955
                   +0 :              -0.00002570621475
                   +1 :              -0.00009348663150
                   +2 :              -0.00004344131783
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :              -0.00115858850346
                   +1 :               0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :               0.00014818295708
                   +1 :               0.00028603368090
                3d
                   -2 :               0.00001147503798
                   -1 :               0.00002942130955
                   +0 :              -0.00002570621475
                   +1 :               0.00009348663150
                   +2 :              -0.00004344131783
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :              -0.00115858850346
                   +1 :              -0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :               0.00014818295708
                   +1 :              -0.00028603368090
                3d
                   -2 :               0.00001147503798
                   -1 :              -0.00002942130955
                   +0 :               0.00002570621475
                   +1 :               0.00009348663150
                   +2 :               0.00004344131783
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :               0.00115858850346
                   +1 :              -0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :              -0.00014818295708
                   +1 :              -0.00028603368090
                3d
                   -2 :               0.00001147503798
                   -1 :               0.00002942130955
                   +0 :               0.00002570621475
                   +1 :              -0.00009348663150
                   +2 :               0.00004344131783
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :               0.00115858850346
                   +1 :              -0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :              -0.00014818295708
                   +1 :              -0.00028603368090
                3d
                   -2 :              -0.00001147503798
                   -1 :              -0.00002942130955
                   +0 :              -0.00002570621475
                   +1 :               0.00009348663150
                   +2 :              -0.00004344131783
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00001123364814
                2s
                   +0 :              -0.00040224895389
                3s
                   +0 :              -0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :              -0.00115858850346
                   +1 :              -0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :               0.00014818295708
                   +1 :              -0.00028603368090
                3d
                   -2 :              -0.00001147503798
                   -1 :               0.00002942130955
                   +0 :              -0.00002570621475
                   +1 :              -0.00009348663150
                   +2 :              -0.00004344131783
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :              -0.00115858850346
                   +1 :               0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :               0.00014818295708
                   +1 :               0.00028603368090
                3d
                   -2 :              -0.00001147503798
                   -1 :              -0.00002942130955
                   +0 :               0.00002570621475
                   +1 :              -0.00009348663150
                   +2 :               0.00004344131783
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00001123364814
                2s
                   +0 :               0.00040224895389
                3s
                   +0 :               0.00019194802175
                2p
                   -1 :              -0.00025366035614
                   +0 :               0.00115858850346
                   +1 :               0.00068604265678
                3p
                   -1 :               0.00009052339753
                   +0 :              -0.00014818295708
                   +1 :               0.00028603368090
                3d
                   -2 :              -0.00001147503798
                   -1 :               0.00002942130955
                   +0 :               0.00002570621475
                   +1 :               0.00009348663150
                   +2 :               0.00004344131783
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :               0.00015407656110
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00004788331785
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00001879707707
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00002652840838
                2s
                   +0 :              -0.00083647163169
                3s
                   +0 :               0.00054043315752
                2p
                   -1 :               0.00099582530501
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00065573240462
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00010301403465
                   +1 :              -0.00000000000000
                   +2 :              -0.00003951274207
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00002652840838
                2s
                   +0 :               0.00083647163169
                3s
                   +0 :              -0.00054043315752
                2p
                   -1 :               0.00099582530501
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00065573240462
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00010301403465
                   +1 :               0.00000000000000
                   +2 :               0.00003951274207
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :               0.00015407656110
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00004788331785
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00001879707707
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00003821623346
                2s
                   +0 :               0.00035834187527
                3s
                   +0 :              -0.00013022899632
                2p
                   -1 :              -0.00023710933330
                   +1 :               0.00010582183112
                3p
                   -1 :               0.00003659182830
                   +1 :              -0.00001025425393
                3d
                   -2 :               0.00001843471282
                   -1 :              -0.00000000000000
                   +0 :              -0.00000578249626
                   +1 :               0.00000000000000
                   +2 :              -0.00000289350935
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00003821623346
                2s
                   +0 :              -0.00035834187527
                3s
                   +0 :               0.00013022899632
                2p
                   -1 :              -0.00023710933330
                   +1 :              -0.00010582183112
                3p
                   -1 :               0.00003659182830
                   +1 :               0.00001025425393
                3d
                   -2 :               0.00001843471282
                   -1 :               0.00000000000000
                   +0 :               0.00000578249626
                   +1 :              -0.00000000000000
                   +2 :               0.00000289350935
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001749406316
                2s
                   +0 :              -0.00003296686054
                3s
                   +0 :               0.00008881887880
                2p
                   -1 :               0.00032507961496
                   +0 :              -0.00000000000000
                   +1 :              -0.00036729265767
                3p
                   -1 :              -0.00026466642651
                   +0 :               0.00000000000000
                   +1 :               0.00010019837716
                3d
                   -2 :              -0.00000053382847
                   -1 :              -0.00000000000000
                   +0 :               0.00001847612706
                   +1 :              -0.00000000000000
                   +2 :              -0.00003009806867
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001749406316
                2s
                   +0 :               0.00003296686054
                3s
                   +0 :              -0.00008881887880
                2p
                   -1 :               0.00032507961496
                   +0 :              -0.00000000000000
                   +1 :               0.00036729265767
                3p
                   -1 :              -0.00026466642651
                   +0 :              -0.00000000000000
                   +1 :              -0.00010019837716
                3d
                   -2 :              -0.00000053382847
                   -1 :               0.00000000000000
                   +0 :              -0.00001847612706
                   +1 :               0.00000000000000
                   +2 :               0.00003009806867
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001749406316
                2s
                   +0 :              -0.00003296686054
                3s
                   +0 :               0.00008881887880
                2p
                   -1 :               0.00032507961496
                   +1 :               0.00036729265767
                3p
                   -1 :              -0.00026466642651
                   +0 :              -0.00000000000000
                   +1 :              -0.00010019837716
                3d
                   -2 :               0.00000053382847
                   -1 :              -0.00000000000000
                   +0 :               0.00001847612706
                   +1 :              -0.00000000000000
                   +2 :              -0.00003009806867
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001749406316
                2s
                   +0 :               0.00003296686054
                3s
                   +0 :              -0.00008881887880
                2p
                   -1 :               0.00032507961496
                   +1 :              -0.00036729265767
                3p
                   -1 :              -0.00026466642651
                   +0 :               0.00000000000000
                   +1 :               0.00010019837716
                3d
                   -2 :               0.00000053382847
                   -1 :               0.00000000000000
                   +0 :              -0.00001847612706
                   +1 :               0.00000000000000
                   +2 :               0.00003009806867
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00003821623346
                2s
                   +0 :               0.00035834187527
                3s
                   +0 :              -0.00013022899632
                2p
                   -1 :              -0.00023710933330
                   +1 :              -0.00010582183112
                3p
                   -1 :               0.00003659182830
                   +1 :               0.00001025425393
                3d
                   -2 :              -0.00001843471282
                   -1 :              -0.00000000000000
                   +0 :              -0.00000578249626
                   +1 :               0.00000000000000
                   +2 :              -0.00000289350935
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00003821623346
                2s
                   +0 :              -0.00035834187527
                3s
                   +0 :               0.00013022899632
                2p
                   -1 :              -0.00023710933330
                   +0 :              -0.00000000000000
                   +1 :               0.00010582183112
                3p
                   -1 :               0.00003659182830
                   +0 :              -0.00000000000000
                   +1 :              -0.00001025425393
                3d
                   -2 :              -0.00001843471282
                   -1 :               0.00000000000000
                   +0 :               0.00000578249626
                   +1 :              -0.00000000000000
                   +2 :               0.00000289350935
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :               0.00001158789204
                   +1 :              -0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :              -0.00001247308065
                   +1 :               0.00003624538609
                3d
                   -2 :              -0.00000289422736
                   -1 :              -0.00001450785180
                   +0 :              -0.00000483639726
                   +1 :               0.00000493852595
                   +2 :               0.00000594338574
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :              -0.00001158789204
                   +1 :              -0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :               0.00001247308065
                   +1 :               0.00003624538609
                3d
                   -2 :              -0.00000289422736
                   -1 :               0.00001450785180
                   +0 :              -0.00000483639726
                   +1 :              -0.00000493852595
                   +2 :               0.00000594338574
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :              -0.00001158789204
                   +1 :               0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :               0.00001247308065
                   +1 :              -0.00003624538609
                3d
                   -2 :              -0.00000289422736
                   -1 :              -0.00001450785180
                   +0 :               0.00000483639726
                   +1 :              -0.00000493852595
                   +2 :              -0.00000594338574
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :               0.00001158789204
                   +1 :               0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :              -0.00001247308065
                   +1 :              -0.00003624538609
                3d
                   -2 :              -0.00000289422736
                   -1 :               0.00001450785180
                   +0 :               0.00000483639726
                   +1 :               0.00000493852595
                   +2 :              -0.00000594338574
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :               0.00035197159744
                   +1 :               0.00032256070434
                3p
                   -1 :              -0.00028759302340
                   +0 :              -0.00029657729358
                   +1 :              -0.00016309736169
                3d
                   -2 :              -0.00002415481177
                   -1 :               0.00007230748418
                   +0 :               0.00000759585646
                   +1 :              -0.00001527364066
                   +2 :              -0.00003499918407
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :              -0.00035197159744
                   +1 :               0.00032256070433
                3p
                   -1 :              -0.00028759302340
                   +0 :               0.00029657729358
                   +1 :              -0.00016309736169
                3d
                   -2 :              -0.00002415481177
                   -1 :              -0.00007230748418
                   +0 :               0.00000759585646
                   +1 :               0.00001527364066
                   +2 :              -0.00003499918407
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :              -0.00035197159744
                   +1 :              -0.00032256070434
                3p
                   -1 :              -0.00028759302340
                   +0 :               0.00029657729358
                   +1 :               0.00016309736169
                3d
                   -2 :              -0.00002415481177
                   -1 :               0.00007230748418
                   +0 :              -0.00000759585646
                   +1 :               0.00001527364066
                   +2 :               0.00003499918407
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :               0.00035197159744
                   +1 :              -0.00032256070434
                3p
                   -1 :              -0.00028759302340
                   +0 :              -0.00029657729358
                   +1 :               0.00016309736169
                3d
                   -2 :              -0.00002415481177
                   -1 :              -0.00007230748418
                   +0 :              -0.00000759585646
                   +1 :              -0.00001527364066
                   +2 :               0.00003499918407
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :               0.00035197159744
                   +1 :              -0.00032256070434
                3p
                   -1 :              -0.00028759302340
                   +0 :              -0.00029657729358
                   +1 :               0.00016309736169
                3d
                   -2 :               0.00002415481177
                   -1 :               0.00007230748418
                   +0 :               0.00000759585646
                   +1 :               0.00001527364066
                   +2 :              -0.00003499918407
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00004564005264
                2s
                   +0 :              -0.00053664120341
                3s
                   +0 :               0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :              -0.00035197159744
                   +1 :              -0.00032256070434
                3p
                   -1 :              -0.00028759302340
                   +0 :               0.00029657729358
                   +1 :               0.00016309736169
                3d
                   -2 :               0.00002415481177
                   -1 :              -0.00007230748418
                   +0 :               0.00000759585646
                   +1 :              -0.00001527364066
                   +2 :              -0.00003499918407
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :              -0.00035197159744
                   +1 :               0.00032256070433
                3p
                   -1 :              -0.00028759302340
                   +0 :               0.00029657729358
                   +1 :              -0.00016309736169
                3d
                   -2 :               0.00002415481177
                   -1 :               0.00007230748418
                   +0 :              -0.00000759585646
                   +1 :              -0.00001527364066
                   +2 :               0.00003499918407
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00004564005264
                2s
                   +0 :               0.00053664120341
                3s
                   +0 :              -0.00027182994492
                2p
                   -1 :               0.00033804570911
                   +0 :               0.00035197159744
                   +1 :               0.00032256070434
                3p
                   -1 :              -0.00028759302340
                   +0 :              -0.00029657729358
                   +1 :              -0.00016309736169
                3d
                   -2 :               0.00002415481177
                   -1 :              -0.00007230748418
                   +0 :              -0.00000759585646
                   +1 :               0.00001527364066
                   +2 :               0.00003499918407
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :               0.00001158789204
                   +1 :               0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :              -0.00001247308065
                   +1 :              -0.00003624538609
                3d
                   -2 :               0.00000289422736
                   -1 :              -0.00001450785180
                   +0 :              -0.00000483639726
                   +1 :              -0.00000493852595
                   +2 :               0.00000594338574
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000380701486
                2s
                   +0 :              -0.00000067120055
                3s
                   +0 :              -0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :              -0.00001158789204
                   +1 :               0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :               0.00001247308065
                   +1 :              -0.00003624538609
                3d
                   -2 :               0.00000289422736
                   -1 :               0.00001450785180
                   +0 :              -0.00000483639726
                   +1 :               0.00000493852595
                   +2 :               0.00000594338574
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :              -0.00001158789204
                   +1 :              -0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :               0.00001247308065
                   +1 :               0.00003624538609
                3d
                   -2 :               0.00000289422736
                   -1 :              -0.00001450785180
                   +0 :               0.00000483639726
                   +1 :               0.00000493852595
                   +2 :              -0.00000594338574
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000380701486
                2s
                   +0 :               0.00000067120055
                3s
                   +0 :               0.00004769575717
                2p
                   -1 :              -0.00011289433481
                   +0 :               0.00001158789204
                   +1 :              -0.00001457549388
                3p
                   -1 :               0.00005430548895
                   +0 :              -0.00001247308065
                   +1 :               0.00003624538609
                3d
                   -2 :               0.00000289422736
                   -1 :               0.00001450785180
                   +0 :               0.00000483639726
                   +1 :              -0.00000493852595
                   +2 :              -0.00000594338574
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site O (  6)  npairs=  34
              1 vec=    -3.573189      0.000000      4.566642   |vec|=    5.798439
                2p
                   -1 :               0.00691409663429
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00080471290557
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00011228707065
                   -1 :               0.00003956422721
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              2 vec=     3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00691409663429
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00080471290557
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00011228707065
                   -1 :               0.00003956422721
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              3 vec=     0.000000     -3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00129164601058
                2s
                   +0 :              -0.02558196854282
                3s
                   +0 :               0.00394103948297
                2p
                   -1 :              -0.00746515177396
                   +0 :               0.01637655877583
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00107097483778
                   +0 :              -0.00599344585154
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00056304174495
                   +0 :              -0.00033082825051
                   +1 :              -0.00000000000000
                   +2 :              -0.00001930579174
              4 vec=     0.000000      3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00129164601058
                2s
                   +0 :               0.02558196854282
                3s
                   +0 :              -0.00394103948297
                2p
                   -1 :              -0.00746515177396
                   +0 :              -0.01637655877583
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00107097483778
                   +0 :               0.00599344585154
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00056304174495
                   +0 :               0.00033082825051
                   +1 :              -0.00000000000000
                   +2 :               0.00001930579174
              5 vec=    -3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :               0.00207205816098
                   +1 :               0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :              -0.00058755646384
                   +1 :               0.00058133923519
                3d
                   -2 :              -0.00041147796466
                   -1 :              -0.00005402121213
                   +0 :               0.00025951533319
                   +1 :              -0.00004203303073
                   +2 :              -0.00027788803562
              6 vec=    -3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :              -0.00207205816098
                   +1 :              -0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :               0.00058755646384
                   +1 :              -0.00058133923519
                3d
                   -2 :              -0.00041147796466
                   -1 :              -0.00005402121213
                   +0 :              -0.00025951533319
                   +1 :               0.00004203303073
                   +2 :               0.00027788803562
              7 vec=     3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :               0.00207205816098
                   +1 :              -0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :              -0.00058755646384
                   +1 :              -0.00058133923519
                3d
                   -2 :               0.00041147796466
                   -1 :              -0.00005402121213
                   +0 :               0.00025951533319
                   +1 :               0.00004203303073
                   +2 :              -0.00027788803562
              8 vec=     3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :              -0.00207205816098
                   +1 :               0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :               0.00058755646384
                   +1 :               0.00058133923519
                3d
                   -2 :               0.00041147796466
                   -1 :              -0.00005402121213
                   +0 :              -0.00025951533319
                   +1 :              -0.00004203303073
                   +2 :               0.00027788803562
              9 vec=    -7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :               0.00146841499763
                   +1 :              -0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :              -0.00048261813346
                   +1 :               0.00036347040056
                3d
                   -2 :              -0.00001877492925
                   -1 :               0.00000470038411
                   +0 :               0.00005099977728
                   +1 :               0.00000815448909
                   +2 :              -0.00000459636233
             10 vec=    -7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :              -0.00146841499763
                   +1 :               0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :               0.00048261813346
                   +1 :              -0.00036347040056
                3d
                   -2 :              -0.00001877492925
                   -1 :               0.00000470038411
                   +0 :              -0.00005099977728
                   +1 :              -0.00000815448909
                   +2 :               0.00000459636233
             11 vec=     7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :               0.00146841499763
                   +1 :               0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :              -0.00048261813346
                   +1 :              -0.00036347040056
                3d
                   -2 :               0.00001877492925
                   -1 :               0.00000470038411
                   +0 :               0.00005099977728
                   +1 :              -0.00000815448909
                   +2 :              -0.00000459636233
             12 vec=     7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :              -0.00146841499763
                   +1 :              -0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :               0.00048261813346
                   +1 :               0.00036347040056
                3d
                   -2 :               0.00001877492925
                   -1 :               0.00000470038411
                   +0 :              -0.00005099977728
                   +1 :               0.00000815448909
                   +2 :               0.00000459636233
             13 vec=   -10.719566      0.000000      4.566642   |vec|=   11.651751
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00099546027938
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00015302781729
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000779825306
                   -1 :               0.00000853621766
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             14 vec=    10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00099546027938
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00015302781729
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000779825306
                   -1 :               0.00000853621766
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             15 vec=     0.000000    -10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000607518384
                2s
                   +0 :              -0.00012445038425
                3s
                   +0 :               0.00011362521475
                2p
                   -1 :               0.00070257134249
                   +0 :              -0.00042003585335
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00030236280933
                   +0 :               0.00031909029097
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007271531297
                   +0 :              -0.00000426562255
                   +1 :              -0.00000000000000
                   +2 :              -0.00007117022052
             16 vec=     0.000000     10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000607518384
                2s
                   +0 :               0.00012445038425
                3s
                   +0 :              -0.00011362521475
                2p
                   -1 :               0.00070257134249
                   +0 :               0.00042003585335
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00030236280933
                   +0 :              -0.00031909029097
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007271531297
                   +0 :               0.00000426562255
                   +1 :              -0.00000000000000
                   +2 :               0.00007117022052
             17 vec=   -10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :              -0.00017957007310
                   +1 :               0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :              -0.00004254720039
                   +1 :              -0.00014628226378
                3d
                   -2 :              -0.00000100815990
                   -1 :              -0.00000398179857
                   +0 :              -0.00001097410534
                   +1 :               0.00000302249372
                   +2 :               0.00002843458505
             18 vec=   -10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :               0.00017957007310
                   +1 :              -0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :               0.00004254720039
                   +1 :               0.00014628226378
                3d
                   -2 :              -0.00000100815990
                   -1 :              -0.00000398179857
                   +0 :               0.00001097410534
                   +1 :              -0.00000302249372
                   +2 :              -0.00002843458505
             19 vec=    10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :              -0.00017957007310
                   +1 :              -0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :              -0.00004254720039
                   +1 :               0.00014628226378
                3d
                   -2 :               0.00000100815990
                   -1 :              -0.00000398179857
                   +0 :              -0.00001097410534
                   +1 :              -0.00000302249372
                   +2 :               0.00002843458505
             20 vec=    10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :               0.00017957007310
                   +1 :               0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :               0.00004254720039
                   +1 :              -0.00014628226378
                3d
                   -2 :               0.00000100815990
                   -1 :              -0.00000398179857
                   +0 :               0.00001097410534
                   +1 :               0.00000302249372
                   +2 :              -0.00002843458505
             21 vec=    -7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :              -0.00000373650059
                   +1 :               0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :               0.00007354241719
                   +1 :              -0.00014269335322
                3d
                   -2 :               0.00001549241991
                   -1 :              -0.00003793858466
                   +0 :              -0.00000199360079
                   +1 :              -0.00004150380356
                   +2 :              -0.00002038651106
             22 vec=    -7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :               0.00000373650059
                   +1 :              -0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :              -0.00007354241719
                   +1 :               0.00014269335322
                3d
                   -2 :               0.00001549241991
                   -1 :              -0.00003793858466
                   +0 :               0.00000199360079
                   +1 :               0.00004150380356
                   +2 :               0.00002038651106
             23 vec=     7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :              -0.00000373650059
                   +1 :              -0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :               0.00007354241719
                   +1 :               0.00014269335322
                3d
                   -2 :              -0.00001549241991
                   -1 :              -0.00003793858466
                   +0 :              -0.00000199360079
                   +1 :               0.00004150380356
                   +2 :              -0.00002038651106
             24 vec=     7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :               0.00000373650059
                   +1 :               0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :              -0.00007354241719
                   +1 :              -0.00014269335322
                3d
                   -2 :              -0.00001549241991
                   -1 :              -0.00003793858466
                   +0 :               0.00000199360079
                   +1 :              -0.00004150380356
                   +2 :               0.00002038651106
             25 vec=    -3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :              -0.00015249560736
                   +1 :               0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :               0.00008502246760
                   +1 :              -0.00023693161434
                3d
                   -2 :               0.00002854525973
                   -1 :              -0.00002149958468
                   +0 :              -0.00001666268900
                   +1 :              -0.00002081961987
                   +2 :               0.00005370528681
             26 vec=    -3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :               0.00015249560736
                   +1 :              -0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :              -0.00008502246760
                   +1 :               0.00023693161434
                3d
                   -2 :               0.00002854525973
                   -1 :              -0.00002149958468
                   +0 :               0.00001666268900
                   +1 :               0.00002081961987
                   +2 :              -0.00005370528681
             27 vec=     3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :              -0.00015249560736
                   +1 :              -0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :               0.00008502246760
                   +1 :               0.00023693161434
                3d
                   -2 :              -0.00002854525973
                   -1 :              -0.00002149958468
                   +0 :              -0.00001666268900
                   +1 :               0.00002081961987
                   +2 :               0.00005370528681
             28 vec=     3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :               0.00015249560736
                   +1 :               0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :              -0.00008502246760
                   +1 :              -0.00023693161434
                3d
                   -2 :              -0.00002854525973
                   -1 :              -0.00002149958468
                   +0 :               0.00001666268900
                   +1 :              -0.00002081961987
                   +2 :              -0.00005370528681
             29 vec=   -14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :              -0.00011163174319
                   +1 :               0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :               0.00007515980213
                   +1 :              -0.00006495053079
                3d
                   -2 :              -0.00000310852421
                   -1 :               0.00000771400869
                   +0 :              -0.00000415435416
                   +1 :               0.00000735558489
                   +2 :               0.00000000539026
             30 vec=   -14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :               0.00011163174319
                   +1 :              -0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :              -0.00007515980213
                   +1 :               0.00006495053079
                3d
                   -2 :              -0.00000310852421
                   -1 :               0.00000771400869
                   +0 :               0.00000415435416
                   +1 :              -0.00000735558489
                   +2 :              -0.00000000539026
             31 vec=    14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :              -0.00011163174319
                   +1 :              -0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :               0.00007515980213
                   +1 :               0.00006495053079
                3d
                   -2 :               0.00000310852421
                   -1 :               0.00000771400869
                   +0 :              -0.00000415435416
                   +1 :              -0.00000735558489
                   +2 :               0.00000000539026
             32 vec=    14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :               0.00011163174319
                   +1 :               0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :              -0.00007515980213
                   +1 :              -0.00006495053079
                3d
                   -2 :               0.00000310852421
                   -1 :               0.00000771400869
                   +0 :               0.00000415435416
                   +1 :               0.00000735558489
                   +2 :              -0.00000000539026
             33 vec=     0.000000     -3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00006432397051
                2s
                   +0 :               0.00093529050968
                3s
                   +0 :              -0.00016237592557
                2p
                   -1 :              -0.00016420666615
                   +0 :               0.00104056814107
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00004893556688
                   +0 :              -0.00035938279183
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000523696187
                   +0 :               0.00000500550309
                   +1 :               0.00000000000000
                   +2 :              -0.00000625417068
             34 vec=     0.000000      3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00006432397051
                2s
                   +0 :              -0.00093529050968
                3s
                   +0 :               0.00016237592557
                2p
                   -1 :              -0.00016420666615
                   +0 :              -0.00104056814107
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00004893556688
                   +0 :               0.00035938279183
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000523696187
                   +0 :              -0.00000500550309
                   +1 :              -0.00000000000000
                   +2 :               0.00000625417068
WF             site_B          number of pairs
WF(  9)=[O 2p-1]  to site O (  7)  npairs=  34
              1 vec=    -3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00691409663429
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00080471290557
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00011228707065
                   -1 :              -0.00003956422721
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              2 vec=     3.573189      0.000000     -4.566642   |vec|=    5.798439
                2p
                   -1 :               0.00691409663429
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00080471290557
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00011228707065
                   -1 :              -0.00003956422721
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              3 vec=     0.000000     -3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00129164601058
                2s
                   +0 :              -0.02558196854282
                3s
                   +0 :               0.00394103948297
                2p
                   -1 :              -0.00746515177396
                   +0 :              -0.01637655877583
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00107097483778
                   +0 :               0.00599344585154
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00056304174495
                   +0 :              -0.00033082825051
                   +1 :               0.00000000000000
                   +2 :              -0.00001930579174
              4 vec=     0.000000      3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00129164601058
                2s
                   +0 :               0.02558196854282
                3s
                   +0 :              -0.00394103948297
                2p
                   -1 :              -0.00746515177396
                   +0 :               0.01637655877583
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00107097483778
                   +0 :              -0.00599344585154
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00056304174495
                   +0 :               0.00033082825051
                   +1 :               0.00000000000000
                   +2 :               0.00001930579174
              5 vec=    -3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :              -0.00207205816098
                   +1 :               0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :               0.00058755646384
                   +1 :               0.00058133923519
                3d
                   -2 :              -0.00041147796466
                   -1 :               0.00005402121213
                   +0 :               0.00025951533319
                   +1 :               0.00004203303073
                   +2 :              -0.00027788803562
              6 vec=    -3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :               0.00207205816098
                   +1 :              -0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :              -0.00058755646384
                   +1 :              -0.00058133923519
                3d
                   -2 :              -0.00041147796466
                   -1 :               0.00005402121213
                   +0 :              -0.00025951533319
                   +1 :              -0.00004203303073
                   +2 :               0.00027788803562
              7 vec=     3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00018255443437
                2s
                   +0 :              -0.00664191838915
                3s
                   +0 :              -0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :              -0.00207205816098
                   +1 :              -0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :               0.00058755646384
                   +1 :              -0.00058133923519
                3d
                   -2 :               0.00041147796466
                   -1 :               0.00005402121213
                   +0 :               0.00025951533319
                   +1 :              -0.00004203303073
                   +2 :              -0.00027788803562
              8 vec=     3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00018255443437
                2s
                   +0 :               0.00664191838915
                3s
                   +0 :               0.00029575859263
                2p
                   -1 :              -0.00012501087379
                   +0 :               0.00207205816098
                   +1 :               0.00463291943376
                3p
                   -1 :               0.00078942751077
                   +0 :              -0.00058755646384
                   +1 :               0.00058133923519
                3d
                   -2 :               0.00041147796466
                   -1 :               0.00005402121213
                   +0 :              -0.00025951533319
                   +1 :               0.00004203303073
                   +2 :               0.00027788803562
              9 vec=    -7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :              -0.00146841499763
                   +1 :              -0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :               0.00048261813346
                   +1 :               0.00036347040056
                3d
                   -2 :              -0.00001877492925
                   -1 :              -0.00000470038411
                   +0 :               0.00005099977728
                   +1 :              -0.00000815448909
                   +2 :              -0.00000459636233
             10 vec=    -7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :               0.00146841499763
                   +1 :               0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :              -0.00048261813346
                   +1 :              -0.00036347040056
                3d
                   -2 :              -0.00001877492925
                   -1 :              -0.00000470038411
                   +0 :              -0.00005099977728
                   +1 :               0.00000815448909
                   +2 :               0.00000459636233
             11 vec=     7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00004645098593
                2s
                   +0 :              -0.00022466556528
                3s
                   +0 :               0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :              -0.00146841499763
                   +1 :               0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :               0.00048261813346
                   +1 :              -0.00036347040056
                3d
                   -2 :               0.00001877492925
                   -1 :              -0.00000470038411
                   +0 :               0.00005099977728
                   +1 :               0.00000815448909
                   +2 :              -0.00000459636233
             12 vec=     7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00004645098593
                2s
                   +0 :               0.00022466556528
                3s
                   +0 :              -0.00014482509697
                2p
                   -1 :              -0.00012793310910
                   +0 :               0.00146841499763
                   +1 :              -0.00096836313644
                3p
                   -1 :               0.00006240017598
                   +0 :              -0.00048261813346
                   +1 :               0.00036347040056
                3d
                   -2 :               0.00001877492925
                   -1 :              -0.00000470038411
                   +0 :              -0.00005099977728
                   +1 :              -0.00000815448909
                   +2 :               0.00000459636233
             13 vec=   -10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00099546027938
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00015302781729
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000779825306
                   -1 :              -0.00000853621766
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             14 vec=    10.719566      0.000000     -4.566642   |vec|=   11.651751
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00099546027938
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00015302781729
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000779825306
                   -1 :              -0.00000853621766
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             15 vec=     0.000000    -10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000607518384
                2s
                   +0 :              -0.00012445038425
                3s
                   +0 :               0.00011362521475
                2p
                   -1 :               0.00070257134249
                   +0 :               0.00042003585335
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00030236280933
                   +0 :              -0.00031909029097
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007271531297
                   +0 :              -0.00000426562255
                   +1 :               0.00000000000000
                   +2 :              -0.00007117022052
             16 vec=     0.000000     10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000607518384
                2s
                   +0 :               0.00012445038425
                3s
                   +0 :              -0.00011362521475
                2p
                   -1 :               0.00070257134249
                   +0 :              -0.00042003585335
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00030236280933
                   +0 :               0.00031909029097
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007271531297
                   +0 :               0.00000426562255
                   +1 :               0.00000000000000
                   +2 :               0.00007117022052
             17 vec=   -10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :               0.00017957007310
                   +1 :               0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :               0.00004254720039
                   +1 :              -0.00014628226378
                3d
                   -2 :              -0.00000100815990
                   -1 :               0.00000398179857
                   +0 :              -0.00001097410534
                   +1 :              -0.00000302249372
                   +2 :               0.00002843458505
             18 vec=   -10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :              -0.00017957007310
                   +1 :              -0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :              -0.00004254720039
                   +1 :               0.00014628226378
                3d
                   -2 :              -0.00000100815990
                   -1 :               0.00000398179857
                   +0 :               0.00001097410534
                   +1 :               0.00000302249372
                   +2 :              -0.00002843458505
             19 vec=    10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00002872404429
                2s
                   +0 :              -0.00049524704895
                3s
                   +0 :               0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :               0.00017957007310
                   +1 :              -0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :               0.00004254720039
                   +1 :               0.00014628226378
                3d
                   -2 :               0.00000100815990
                   -1 :               0.00000398179857
                   +0 :              -0.00001097410534
                   +1 :               0.00000302249372
                   +2 :               0.00002843458505
             20 vec=    10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00002872404429
                2s
                   +0 :               0.00049524704895
                3s
                   +0 :              -0.00007973210823
                2p
                   -1 :               0.00044594421002
                   +0 :              -0.00017957007310
                   +1 :               0.00029996354089
                3p
                   -1 :              -0.00012998345329
                   +0 :              -0.00004254720039
                   +1 :              -0.00014628226378
                3d
                   -2 :               0.00000100815990
                   -1 :               0.00000398179857
                   +0 :               0.00001097410534
                   +1 :              -0.00000302249372
                   +2 :              -0.00002843458505
             21 vec=    -7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :               0.00000373650059
                   +1 :               0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :              -0.00007354241719
                   +1 :              -0.00014269335322
                3d
                   -2 :               0.00001549241991
                   -1 :               0.00003793858466
                   +0 :              -0.00000199360079
                   +1 :               0.00004150380356
                   +2 :              -0.00002038651106
             22 vec=    -7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :              -0.00000373650059
                   +1 :              -0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :               0.00007354241719
                   +1 :               0.00014269335322
                3d
                   -2 :               0.00001549241991
                   -1 :               0.00003793858466
                   +0 :               0.00000199360079
                   +1 :              -0.00004150380356
                   +2 :               0.00002038651106
             23 vec=     7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001883764844
                2s
                   +0 :              -0.00039559390027
                3s
                   +0 :               0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :               0.00000373650059
                   +1 :              -0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :              -0.00007354241719
                   +1 :               0.00014269335322
                3d
                   -2 :              -0.00001549241991
                   -1 :               0.00003793858466
                   +0 :              -0.00000199360079
                   +1 :              -0.00004150380356
                   +2 :              -0.00002038651106
             24 vec=     7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001883764844
                2s
                   +0 :               0.00039559390027
                3s
                   +0 :              -0.00012715199151
                2p
                   -1 :               0.00029447960748
                   +0 :              -0.00000373650059
                   +1 :               0.00056063483779
                3p
                   -1 :              -0.00010340976037
                   +0 :               0.00007354241719
                   +1 :              -0.00014269335322
                3d
                   -2 :              -0.00001549241991
                   -1 :               0.00003793858466
                   +0 :               0.00000199360079
                   +1 :               0.00004150380356
                   +2 :               0.00002038651106
             25 vec=    -3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :               0.00015249560736
                   +1 :               0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :              -0.00008502246760
                   +1 :              -0.00023693161434
                3d
                   -2 :               0.00002854525973
                   -1 :               0.00002149958468
                   +0 :              -0.00001666268900
                   +1 :               0.00002081961987
                   +2 :               0.00005370528681
             26 vec=    -3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :              -0.00015249560736
                   +1 :              -0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :               0.00008502246760
                   +1 :               0.00023693161434
                3d
                   -2 :               0.00002854525973
                   -1 :               0.00002149958468
                   +0 :               0.00001666268900
                   +1 :              -0.00002081961987
                   +2 :              -0.00005370528681
             27 vec=     3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000138484168
                2s
                   +0 :              -0.00027898602562
                3s
                   +0 :               0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :               0.00015249560736
                   +1 :              -0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :              -0.00008502246760
                   +1 :               0.00023693161434
                3d
                   -2 :              -0.00002854525973
                   -1 :               0.00002149958468
                   +0 :              -0.00001666268900
                   +1 :              -0.00002081961987
                   +2 :               0.00005370528681
             28 vec=     3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000138484168
                2s
                   +0 :               0.00027898602562
                3s
                   +0 :              -0.00004255470052
                2p
                   -1 :               0.00034135054708
                   +0 :              -0.00015249560736
                   +1 :               0.00015312696538
                3p
                   -1 :              -0.00007649542092
                   +0 :               0.00008502246760
                   +1 :              -0.00023693161434
                3d
                   -2 :              -0.00002854525973
                   -1 :               0.00002149958468
                   +0 :               0.00001666268900
                   +1 :               0.00002081961987
                   +2 :              -0.00005370528681
             29 vec=   -14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :               0.00011163174319
                   +1 :               0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :              -0.00007515980213
                   +1 :              -0.00006495053079
                3d
                   -2 :              -0.00000310852421
                   -1 :              -0.00000771400869
                   +0 :              -0.00000415435416
                   +1 :              -0.00000735558489
                   +2 :               0.00000000539026
             30 vec=   -14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :              -0.00011163174319
                   +1 :              -0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :               0.00007515980213
                   +1 :               0.00006495053079
                3d
                   -2 :              -0.00000310852421
                   -1 :              -0.00000771400869
                   +0 :               0.00000415435416
                   +1 :               0.00000735558489
                   +2 :              -0.00000000539026
             31 vec=    14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000531677637
                2s
                   +0 :               0.00003983392063
                3s
                   +0 :              -0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :               0.00011163174319
                   +1 :              -0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :              -0.00007515980213
                   +1 :               0.00006495053079
                3d
                   -2 :               0.00000310852421
                   -1 :              -0.00000771400869
                   +0 :              -0.00000415435416
                   +1 :               0.00000735558489
                   +2 :               0.00000000539026
             32 vec=    14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000531677637
                2s
                   +0 :              -0.00003983392063
                3s
                   +0 :               0.00000075240377
                2p
                   -1 :              -0.00005285983449
                   +0 :              -0.00011163174319
                   +1 :               0.00013191803211
                3p
                   -1 :               0.00001692313697
                   +0 :               0.00007515980213
                   +1 :              -0.00006495053079
                3d
                   -2 :               0.00000310852421
                   -1 :              -0.00000771400869
                   +0 :               0.00000415435416
                   +1 :              -0.00000735558489
                   +2 :              -0.00000000539026
             33 vec=     0.000000     -3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00006432397051
                2s
                   +0 :               0.00093529050968
                3s
                   +0 :              -0.00016237592557
                2p
                   -1 :              -0.00016420666615
                   +0 :              -0.00104056814107
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00004893556688
                   +0 :               0.00035938279183
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000523696187
                   +0 :               0.00000500550309
                   +1 :               0.00000000000000
                   +2 :              -0.00000625417068
             34 vec=     0.000000      3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00006432397051
                2s
                   +0 :              -0.00093529050968
                3s
                   +0 :               0.00016237592557
                2p
                   -1 :              -0.00016420666615
                   +0 :               0.00104056814107
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00004893556688
                   +0 :              -0.00035938279183
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000523696187
                   +0 :              -0.00000500550309
                   +1 :              -0.00000000000000
                   +2 :               0.00000625417068
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site La(  1)  npairs=  38
              1 vec=     0.000000     -3.573189     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.04127946709634
                5p
                   -1 :              -0.09567919358095
                   +0 :              -0.06566729713525
                   +1 :               0.00000000000000
                6s
                   +0 :               0.01783480081795
                7s
                   +0 :               0.00229553545264
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.06443591638660
                   +0 :               0.01217943894392
                   +1 :               0.00000000000000
                   +2 :               0.05522204873662
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00490558296679
                   +0 :              -0.00362794962947
                   +1 :               0.00000000000000
                   +2 :               0.00133465728349
                6p
                   -1 :              -0.00549435904788
                   +0 :              -0.00216725727084
                   +1 :               0.00000000000000
                4f
                   -3 :               0.01853585593239
                   -2 :               0.00000000000000
                   -1 :              -0.01270282561304
                   +0 :               0.01475254658589
                   +1 :               0.00000000000000
                   +2 :               0.03132749218837
                   +3 :              -0.00000000000000
              2 vec=     0.000000      3.573189     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.04127946709634
                5p
                   -1 :               0.09567919358095
                   +0 :              -0.06566729713525
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.01783480081795
                7s
                   +0 :               0.00229553545264
                5d
                   -2 :               0.00000000000000
                   -1 :               0.06443591638660
                   +0 :               0.01217943894392
                   +1 :              -0.00000000000000
                   +2 :               0.05522204873662
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00490558296679
                   +0 :              -0.00362794962947
                   +1 :              -0.00000000000000
                   +2 :               0.00133465728349
                6p
                   -1 :               0.00549435904788
                   +0 :              -0.00216725727084
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.01853585593239
                   -2 :               0.00000000000000
                   -1 :               0.01270282561304
                   +0 :               0.01475254658589
                   +1 :              -0.00000000000000
                   +2 :               0.03132749218837
                   +3 :               0.00000000000000
              3 vec=    -7.146377     -3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :              -0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :               0.00050173921368
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :               0.00158066460153
                   +0 :              -0.00084821302917
                   +1 :              -0.00079716822973
                   +2 :               0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :              -0.00029167972782
                   +0 :               0.00034598653894
                   +1 :               0.00032312208979
                   +2 :              -0.00006040043700
                6p
                   -1 :              -0.00005676736322
                   +0 :               0.00033210820600
                   +1 :               0.00012440781411
                4f
                   -3 :              -0.00094870498024
                   -2 :              -0.00085304147635
                   -1 :              -0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :              -0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :               0.00147951006321
              4 vec=    -7.146377      3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :               0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :               0.00050173921368
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :              -0.00158066460153
                   +0 :              -0.00084821302917
                   +1 :              -0.00079716822973
                   +2 :               0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :               0.00029167972782
                   +0 :               0.00034598653894
                   +1 :               0.00032312208979
                   +2 :              -0.00006040043700
                6p
                   -1 :               0.00005676736322
                   +0 :               0.00033210820600
                   +1 :               0.00012440781411
                4f
                   -3 :               0.00094870498024
                   -2 :               0.00085304147635
                   -1 :               0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :              -0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :               0.00147951006321
              5 vec=     7.146377     -3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :              -0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :              -0.00050173921368
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :               0.00158066460153
                   +0 :              -0.00084821302917
                   +1 :               0.00079716822973
                   +2 :               0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :              -0.00029167972782
                   +0 :               0.00034598653894
                   +1 :              -0.00032312208979
                   +2 :              -0.00006040043700
                6p
                   -1 :              -0.00005676736322
                   +0 :               0.00033210820600
                   +1 :              -0.00012440781411
                4f
                   -3 :              -0.00094870498024
                   -2 :               0.00085304147635
                   -1 :              -0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :               0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :              -0.00147951006321
              6 vec=     7.146377      3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00020897674738
                5p
                   -1 :               0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :              -0.00050173921368
                6s
                   +0 :               0.00123263687737
                7s
                   +0 :              -0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :              -0.00158066460153
                   +0 :              -0.00084821302917
                   +1 :               0.00079716822973
                   +2 :               0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :               0.00029167972782
                   +0 :               0.00034598653894
                   +1 :              -0.00032312208979
                   +2 :              -0.00006040043700
                6p
                   -1 :               0.00005676736322
                   +0 :               0.00033210820600
                   +1 :              -0.00012440781411
                4f
                   -3 :               0.00094870498024
                   -2 :              -0.00085304147635
                   -1 :               0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :               0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :              -0.00147951006321
              7 vec=    -3.573189      0.000000      9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00230954337332
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00051993169399
                   +1 :              -0.00148493261069
                6s
                   +0 :              -0.00146348368404
                7s
                   +0 :              -0.00007587939234
                5d
                   -2 :              -0.00000000000000
                   +0 :               0.00603350911328
                   +1 :               0.00528013241728
                   +2 :              -0.00065232776045
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00073140564984
                   +1 :              -0.00129461129057
                   +2 :               0.00000065669579
                6p
                   +0 :               0.00046453601232
                   +1 :              -0.00030330393414
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00458881425718
                   +1 :              -0.00290084019951
                   +2 :               0.00071767872813
                   +3 :              -0.00076472417362
              8 vec=     3.573189      0.000000      9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00230954337332
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00051993169399
                   +1 :               0.00148493261069
                6s
                   +0 :              -0.00146348368404
                7s
                   +0 :              -0.00007587939234
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00603350911328
                   +1 :              -0.00528013241728
                   +2 :              -0.00065232776045
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00073140564984
                   +1 :               0.00129461129057
                   +2 :               0.00000065669579
                6p
                   +0 :               0.00046453601232
                   +1 :               0.00030330393414
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00458881425718
                   +1 :               0.00290084019951
                   +2 :               0.00071767872813
                   +3 :               0.00076472417362
              9 vec=     0.000000    -10.719566     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00022450221917
                5p
                   -1 :              -0.00279064054404
                   +0 :              -0.00007670793366
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00197006327262
                7s
                   +0 :               0.00004904223912
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00056466695008
                   +0 :               0.00120686604766
                   +2 :               0.00081815225090
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00081731124735
                   +0 :              -0.00018604380902
                   +1 :               0.00000000000000
                   +2 :              -0.00014627076904
                6p
                   -1 :              -0.00127664218987
                   +0 :               0.00024676116885
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00023899196256
                   -2 :              -0.00000000000000
                   -1 :               0.00015035536602
                   +0 :               0.00033786596913
                   +1 :               0.00000000000000
                   +2 :               0.00110862701630
                   +3 :              -0.00000000000000
             10 vec=     0.000000     10.719566     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00022450221917
                5p
                   -1 :               0.00279064054404
                   +0 :              -0.00007670793366
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00197006327262
                7s
                   +0 :               0.00004904223912
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00056466695008
                   +0 :               0.00120686604766
                   +1 :               0.00000000000000
                   +2 :               0.00081815225090
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00081731124735
                   +0 :              -0.00018604380902
                   +1 :              -0.00000000000000
                   +2 :              -0.00014627076904
                6p
                   -1 :               0.00127664218987
                   +0 :               0.00024676116885
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00023899196256
                   -2 :              -0.00000000000000
                   -1 :              -0.00015035536602
                   +0 :               0.00033786596913
                   +1 :              -0.00000000000000
                   +2 :               0.00110862701630
                   +3 :               0.00000000000000
             11 vec=    -3.573189     -7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :               0.00008913327814
                   +0 :               0.00013107401584
                   +1 :              -0.00019230524259
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :               0.00025885846651
                   +0 :               0.00060652960519
                   +1 :               0.00100959768330
                   +2 :              -0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :               0.00024611747861
                   +0 :              -0.00046385736540
                   +1 :               0.00071447494479
                   +2 :              -0.00006217455727
                6p
                   -1 :              -0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :               0.00002873016068
                4f
                   -3 :              -0.00056642609151
                   -2 :               0.00019598458458
                   -1 :              -0.00020793112235
                   +0 :               0.00003219904765
                   +1 :              -0.00077487980493
                   +2 :               0.00089888217152
                   +3 :              -0.00041974721422
             12 vec=    -3.573189      7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :              -0.00008913327814
                   +0 :               0.00013107401584
                   +1 :              -0.00019230524259
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :              -0.00025885846651
                   +0 :               0.00060652960519
                   +1 :               0.00100959768330
                   +2 :              -0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :              -0.00024611747861
                   +0 :              -0.00046385736540
                   +1 :               0.00071447494479
                   +2 :              -0.00006217455727
                6p
                   -1 :               0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :               0.00002873016068
                4f
                   -3 :               0.00056642609151
                   -2 :              -0.00019598458458
                   -1 :               0.00020793112235
                   +0 :               0.00003219904765
                   +1 :              -0.00077487980493
                   +2 :               0.00089888217152
                   +3 :              -0.00041974721422
             13 vec=     3.573189     -7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :               0.00008913327814
                   +0 :               0.00013107401584
                   +1 :               0.00019230524259
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :               0.00025885846651
                   +0 :               0.00060652960519
                   +1 :              -0.00100959768330
                   +2 :              -0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :               0.00024611747861
                   +0 :              -0.00046385736540
                   +1 :              -0.00071447494479
                   +2 :              -0.00006217455727
                6p
                   -1 :              -0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :              -0.00002873016068
                4f
                   -3 :              -0.00056642609151
                   -2 :              -0.00019598458458
                   -1 :              -0.00020793112235
                   +0 :               0.00003219904765
                   +1 :               0.00077487980493
                   +2 :               0.00089888217152
                   +3 :               0.00041974721422
             14 vec=     3.573189      7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00081385842362
                5p
                   -1 :              -0.00008913327814
                   +0 :               0.00013107401584
                   +1 :               0.00019230524259
                6s
                   +0 :              -0.00101718055647
                7s
                   +0 :               0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :              -0.00025885846651
                   +0 :               0.00060652960519
                   +1 :              -0.00100959768330
                   +2 :              -0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :              -0.00024611747861
                   +0 :              -0.00046385736540
                   +1 :              -0.00071447494479
                   +2 :              -0.00006217455727
                6p
                   -1 :               0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :              -0.00002873016068
                4f
                   -3 :               0.00056642609151
                   -2 :               0.00019598458458
                   -1 :               0.00020793112235
                   +0 :               0.00003219904765
                   +1 :               0.00077487980493
                   +2 :               0.00089888217152
                   +3 :               0.00041974721422
             15 vec=    -7.146377    -10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :              -0.00020768578734
                   +0 :               0.00027610280559
                   +1 :              -0.00010496252411
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :               0.00097016474788
                   +0 :               0.00098698905226
                   +1 :               0.00088199855622
                   +2 :              -0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :              -0.00009651193576
                   +0 :              -0.00004833134530
                   +1 :              -0.00010125450187
                   +2 :               0.00004262716936
                6p
                   -1 :              -0.00026340693407
                   +0 :               0.00006573254624
                   +1 :              -0.00019173936431
                4f
                   -3 :              -0.00073046116115
                   -2 :               0.00051474482176
                   -1 :               0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :               0.00039685382606
                   +2 :               0.00046891102346
                   +3 :               0.00024781997375
             16 vec=    -7.146377     10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :               0.00020768578734
                   +0 :               0.00027610280559
                   +1 :              -0.00010496252411
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :              -0.00097016474788
                   +0 :               0.00098698905226
                   +1 :               0.00088199855622
                   +2 :              -0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :               0.00009651193576
                   +0 :              -0.00004833134530
                   +1 :              -0.00010125450187
                   +2 :               0.00004262716936
                6p
                   -1 :               0.00026340693407
                   +0 :               0.00006573254624
                   +1 :              -0.00019173936431
                4f
                   -3 :               0.00073046116115
                   -2 :              -0.00051474482176
                   -1 :              -0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :               0.00039685382606
                   +2 :               0.00046891102346
                   +3 :               0.00024781997375
             17 vec=     7.146377    -10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :              -0.00020768578734
                   +0 :               0.00027610280559
                   +1 :               0.00010496252411
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :               0.00097016474788
                   +0 :               0.00098698905226
                   +1 :              -0.00088199855622
                   +2 :              -0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :              -0.00009651193576
                   +0 :              -0.00004833134530
                   +1 :               0.00010125450187
                   +2 :               0.00004262716936
                6p
                   -1 :              -0.00026340693407
                   +0 :               0.00006573254624
                   +1 :               0.00019173936431
                4f
                   -3 :              -0.00073046116115
                   -2 :              -0.00051474482176
                   -1 :               0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :              -0.00039685382606
                   +2 :               0.00046891102346
                   +3 :              -0.00024781997375
             18 vec=     7.146377     10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00008738814436
                5p
                   -1 :               0.00020768578734
                   +0 :               0.00027610280559
                   +1 :               0.00010496252411
                6s
                   +0 :               0.00129442968554
                7s
                   +0 :              -0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :              -0.00097016474788
                   +0 :               0.00098698905226
                   +1 :              -0.00088199855622
                   +2 :              -0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :               0.00009651193576
                   +0 :              -0.00004833134530
                   +1 :               0.00010125450187
                   +2 :               0.00004262716936
                6p
                   -1 :               0.00026340693407
                   +0 :               0.00006573254624
                   +1 :               0.00019173936431
                4f
                   -3 :               0.00073046116115
                   -2 :               0.00051474482176
                   -1 :              -0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :              -0.00039685382606
                   +2 :               0.00046891102346
                   +3 :              -0.00024781997375
             19 vec=   -10.719566      0.000000      9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00021776219014
                5p
                   +0 :               0.00020491580866
                   +1 :               0.00005003294667
                6s
                   +0 :              -0.00043626830404
                7s
                   +0 :               0.00005882092797
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00030265691281
                   +1 :              -0.00051567177703
                   +2 :              -0.00105863067138
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00008575327766
                   +1 :               0.00027996447683
                   +2 :               0.00012538473919
                6p
                   +0 :              -0.00012193191273
                   +1 :               0.00007980819143
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00038989399535
                   +1 :               0.00032186113501
                   +2 :               0.00039276033208
                   +3 :              -0.00043885198280
             20 vec=    10.719566      0.000000      9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00021776219014
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00020491580866
                   +1 :              -0.00005003294667
                6s
                   +0 :              -0.00043626830404
                7s
                   +0 :               0.00005882092797
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00030265691281
                   +1 :               0.00051567177703
                   +2 :              -0.00105863067138
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00008575327766
                   +1 :              -0.00027996447683
                   +2 :               0.00012538473919
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00012193191273
                   +1 :              -0.00007980819143
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00038989399535
                   +1 :              -0.00032186113501
                   +2 :               0.00039276033208
                   +3 :               0.00043885198280
             21 vec=   -14.292755     -3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :               0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :              -0.00003031652726
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :              -0.00012049323711
                   +0 :               0.00015764691915
                   +1 :               0.00019332658174
                   +2 :              -0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :               0.00002103239887
                   +0 :              -0.00005823285434
                   +1 :              -0.00007908743826
                   +2 :               0.00012821844315
                6p
                   -1 :               0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :              -0.00003756854846
                4f
                   -3 :              -0.00001741439719
                   -2 :               0.00005222944870
                   -1 :               0.00001349838832
                   +0 :               0.00002910996144
                   +1 :               0.00021032058004
                   +2 :               0.00030791070258
                   +3 :              -0.00040125728033
             22 vec=   -14.292755      3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :              -0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :              -0.00003031652726
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :               0.00012049323711
                   +0 :               0.00015764691915
                   +1 :               0.00019332658174
                   +2 :              -0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :              -0.00002103239887
                   +0 :              -0.00005823285434
                   +1 :              -0.00007908743826
                   +2 :               0.00012821844315
                6p
                   -1 :              -0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :              -0.00003756854846
                4f
                   -3 :               0.00001741439719
                   -2 :              -0.00005222944870
                   -1 :              -0.00001349838832
                   +0 :               0.00002910996144
                   +1 :               0.00021032058004
                   +2 :               0.00030791070258
                   +3 :              -0.00040125728033
             23 vec=    14.292755     -3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :               0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :               0.00003031652726
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :              -0.00012049323711
                   +0 :               0.00015764691915
                   +1 :              -0.00019332658174
                   +2 :              -0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :               0.00002103239887
                   +0 :              -0.00005823285434
                   +1 :               0.00007908743826
                   +2 :               0.00012821844315
                6p
                   -1 :               0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :               0.00003756854846
                4f
                   -3 :              -0.00001741439719
                   -2 :              -0.00005222944870
                   -1 :               0.00001349838832
                   +0 :               0.00002910996144
                   +1 :              -0.00021032058004
                   +2 :               0.00030791070258
                   +3 :               0.00040125728033
             24 vec=    14.292755      3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00005266477360
                5p
                   -1 :              -0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :               0.00003031652726
                6s
                   +0 :               0.00007521989018
                7s
                   +0 :              -0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :               0.00012049323711
                   +0 :               0.00015764691915
                   +1 :              -0.00019332658174
                   +2 :              -0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :              -0.00002103239887
                   +0 :              -0.00005823285434
                   +1 :               0.00007908743826
                   +2 :               0.00012821844315
                6p
                   -1 :              -0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :               0.00003756854846
                4f
                   -3 :               0.00001741439719
                   -2 :               0.00005222944870
                   -1 :              -0.00001349838832
                   +0 :               0.00002910996144
                   +1 :              -0.00021032058004
                   +2 :               0.00030791070258
                   +3 :               0.00040125728033
             25 vec=   -10.719566     -7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :               0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :               0.00000773365225
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :              -0.00004871431986
                   +0 :              -0.00013075127907
                   +1 :               0.00000095645905
                   +2 :              -0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :               0.00004256903783
                   +0 :               0.00000417867534
                   +1 :               0.00004654881293
                   +2 :               0.00009508356365
                6p
                   -1 :               0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :               0.00002218002993
                4f
                   -3 :              -0.00004054917584
                   -2 :              -0.00004069815961
                   -1 :              -0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :              -0.00003038952493
                   +2 :               0.00027723232049
                   +3 :              -0.00033992812014
             26 vec=   -10.719566      7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :              -0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :               0.00000773365225
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :               0.00004871431986
                   +0 :              -0.00013075127907
                   +1 :               0.00000095645905
                   +2 :              -0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :              -0.00004256903783
                   +0 :               0.00000417867534
                   +1 :               0.00004654881293
                   +2 :               0.00009508356365
                6p
                   -1 :              -0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :               0.00002218002993
                4f
                   -3 :               0.00004054917584
                   -2 :               0.00004069815961
                   -1 :               0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :              -0.00003038952493
                   +2 :               0.00027723232049
                   +3 :              -0.00033992812014
             27 vec=    10.719566     -7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :               0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :              -0.00000773365225
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :              -0.00004871431986
                   +0 :              -0.00013075127907
                   +1 :              -0.00000095645905
                   +2 :              -0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :               0.00004256903783
                   +0 :               0.00000417867534
                   +1 :              -0.00004654881293
                   +2 :               0.00009508356365
                6p
                   -1 :               0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :              -0.00002218002993
                4f
                   -3 :              -0.00004054917584
                   -2 :               0.00004069815961
                   -1 :              -0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :               0.00003038952493
                   +2 :               0.00027723232049
                   +3 :               0.00033992812014
             28 vec=    10.719566      7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00002582093494
                5p
                   -1 :              -0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :              -0.00000773365225
                6s
                   +0 :              -0.00032449816956
                7s
                   +0 :               0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :               0.00004871431986
                   +0 :              -0.00013075127907
                   +1 :              -0.00000095645905
                   +2 :              -0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :              -0.00004256903783
                   +0 :               0.00000417867534
                   +1 :              -0.00004654881293
                   +2 :               0.00009508356365
                6p
                   -1 :              -0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :              -0.00002218002993
                4f
                   -3 :               0.00004054917584
                   -2 :              -0.00004069815961
                   -1 :               0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :               0.00003038952493
                   +2 :               0.00027723232049
                   +3 :               0.00033992812014
             29 vec=    -3.573189      0.000000    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00006555531155
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00046058148214
                   +1 :              -0.00022300709583
                6s
                   +0 :               0.00044923700156
                7s
                   +0 :              -0.00000268796827
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00051920995441
                   +1 :              -0.00054960224376
                   +2 :               0.00019874633765
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00017339373169
                   +1 :               0.00003101413890
                   +2 :              -0.00003357719129
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00008200015026
                   +1 :              -0.00002794847968
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00012571801370
                   +1 :              -0.00016902019222
                   +2 :              -0.00002515034958
                   +3 :              -0.00021247948204
             30 vec=     3.573189      0.000000    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00006555531155
                5p
                   +0 :              -0.00046058148214
                   +1 :               0.00022300709583
                6s
                   +0 :               0.00044923700156
                7s
                   +0 :              -0.00000268796827
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00051920995441
                   +1 :               0.00054960224376
                   +2 :               0.00019874633765
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00017339373169
                   +1 :              -0.00003101413890
                   +2 :              -0.00003357719129
                6p
                   +0 :              -0.00008200015026
                   +1 :               0.00002794847968
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00012571801370
                   +1 :               0.00016902019222
                   +2 :              -0.00002515034958
                   +3 :               0.00021247948204
             31 vec=    -3.573189    -14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :               0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :               0.00003458886620
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :              -0.00021576977093
                   +0 :              -0.00011409890686
                   +1 :               0.00002139153256
                   +2 :              -0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :               0.00008234263744
                   +0 :               0.00003386527501
                   +1 :               0.00003614696917
                   +2 :               0.00017950261659
                6p
                   -1 :               0.00005020106588
                   +0 :               0.00003295719875
                   +1 :              -0.00006795787151
                4f
                   -3 :              -0.00032146156183
                   -2 :              -0.00002068703895
                   -1 :              -0.00004450853652
                   +0 :               0.00000755195469
                   +1 :               0.00006827076983
                   +2 :               0.00029116513285
                   +3 :              -0.00009883957644
             32 vec=    -3.573189     14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :              -0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :               0.00003458886620
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :               0.00021576977093
                   +0 :              -0.00011409890686
                   +1 :               0.00002139153256
                   +2 :              -0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :              -0.00008234263744
                   +0 :               0.00003386527501
                   +1 :               0.00003614696917
                   +2 :               0.00017950261659
                6p
                   -1 :              -0.00005020106588
                   +0 :               0.00003295719875
                   +1 :              -0.00006795787151
                4f
                   -3 :               0.00032146156183
                   -2 :               0.00002068703895
                   -1 :               0.00004450853652
                   +0 :               0.00000755195469
                   +1 :               0.00006827076983
                   +2 :               0.00029116513285
                   +3 :              -0.00009883957644
             33 vec=     3.573189    -14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :               0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :              -0.00003458886620
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :              -0.00021576977093
                   +0 :              -0.00011409890686
                   +1 :              -0.00002139153256
                   +2 :              -0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :               0.00008234263744
                   +0 :               0.00003386527501
                   +1 :              -0.00003614696917
                   +2 :               0.00017950261659
                6p
                   -1 :               0.00005020106588
                   +0 :               0.00003295719875
                   +1 :               0.00006795787151
                4f
                   -3 :              -0.00032146156183
                   -2 :               0.00002068703895
                   -1 :              -0.00004450853652
                   +0 :               0.00000755195469
                   +1 :              -0.00006827076983
                   +2 :               0.00029116513285
                   +3 :               0.00009883957644
             34 vec=     3.573189     14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00005236794733
                5p
                   -1 :              -0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :              -0.00003458886620
                6s
                   +0 :              -0.00004214663858
                7s
                   +0 :               0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :               0.00021576977093
                   +0 :              -0.00011409890686
                   +1 :              -0.00002139153256
                   +2 :              -0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :              -0.00008234263744
                   +0 :               0.00003386527501
                   +1 :              -0.00003614696917
                   +2 :               0.00017950261659
                6p
                   -1 :              -0.00005020106588
                   +0 :               0.00003295719875
                   +1 :               0.00006795787151
                4f
                   -3 :               0.00032146156183
                   -2 :              -0.00002068703895
                   -1 :               0.00004450853652
                   +0 :               0.00000755195469
                   +1 :              -0.00006827076983
                   +2 :               0.00029116513285
                   +3 :               0.00009883957644
             35 vec=    -3.573189     -7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :              -0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :              -0.00003807059968
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :              -0.00034077778033
                   +0 :               0.00006187107935
                   +1 :               0.00014190555534
                   +2 :               0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :              -0.00001254759699
                   +0 :              -0.00010253598158
                   +1 :              -0.00008203279828
                   +2 :              -0.00006583903567
                6p
                   -1 :              -0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :               0.00003545439264
                4f
                   -3 :               0.00015893910375
                   -2 :               0.00010507542416
                   -1 :              -0.00011551977224
                   +0 :               0.00009951932763
                   +1 :               0.00006073602824
                   +2 :               0.00026405371351
                   +3 :              -0.00007051555503
             36 vec=    -3.573189      7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :               0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :              -0.00003807059968
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :               0.00034077778033
                   +0 :               0.00006187107935
                   +1 :               0.00014190555534
                   +2 :               0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :               0.00001254759699
                   +0 :              -0.00010253598158
                   +1 :              -0.00008203279828
                   +2 :              -0.00006583903567
                6p
                   -1 :               0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :               0.00003545439264
                4f
                   -3 :              -0.00015893910375
                   -2 :              -0.00010507542416
                   -1 :               0.00011551977224
                   +0 :               0.00009951932763
                   +1 :               0.00006073602824
                   +2 :               0.00026405371351
                   +3 :              -0.00007051555503
             37 vec=     3.573189     -7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :              -0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :               0.00003807059968
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :              -0.00034077778033
                   +0 :               0.00006187107935
                   +1 :              -0.00014190555534
                   +2 :               0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :              -0.00001254759699
                   +0 :              -0.00010253598158
                   +1 :               0.00008203279828
                   +2 :              -0.00006583903567
                6p
                   -1 :              -0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :              -0.00003545439264
                4f
                   -3 :               0.00015893910375
                   -2 :              -0.00010507542416
                   -1 :              -0.00011551977224
                   +0 :               0.00009951932763
                   +1 :              -0.00006073602824
                   +2 :               0.00026405371351
                   +3 :               0.00007051555503
             38 vec=     3.573189      7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00007745535052
                5p
                   -1 :               0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :               0.00003807059968
                6s
                   +0 :               0.00002625038295
                7s
                   +0 :               0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :               0.00034077778033
                   +0 :               0.00006187107935
                   +1 :              -0.00014190555534
                   +2 :               0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :               0.00001254759699
                   +0 :              -0.00010253598158
                   +1 :               0.00008203279828
                   +2 :              -0.00006583903567
                6p
                   -1 :               0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :              -0.00003545439264
                4f
                   -3 :              -0.00015893910375
                   -2 :               0.00010507542416
                   -1 :               0.00011551977224
                   +0 :               0.00009951932763
                   +1 :              -0.00006073602824
                   +2 :               0.00026405371351
                   +3 :               0.00007051555503
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site La(  2)  npairs=  38
              1 vec=     0.000000     -3.573189      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.04127946709634
                5p
                   -1 :               0.09567919358095
                   +0 :              -0.06566729713525
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.01783480081795
                7s
                   +0 :              -0.00229553545264
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.06443591638660
                   +0 :              -0.01217943894392
                   +1 :               0.00000000000000
                   +2 :              -0.05522204873662
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00490558296679
                   +0 :               0.00362794962947
                   +1 :               0.00000000000000
                   +2 :              -0.00133465728349
                6p
                   -1 :               0.00549435904788
                   +0 :              -0.00216725727084
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.01853585593239
                   -2 :               0.00000000000000
                   -1 :               0.01270282561304
                   +0 :               0.01475254658589
                   +1 :              -0.00000000000000
                   +2 :               0.03132749218837
                   +3 :               0.00000000000000
              2 vec=     0.000000      3.573189      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.04127946709634
                5p
                   -1 :              -0.09567919358095
                   +0 :              -0.06566729713525
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.01783480081795
                7s
                   +0 :              -0.00229553545264
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.06443591638660
                   +0 :              -0.01217943894392
                   +1 :              -0.00000000000000
                   +2 :              -0.05522204873662
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00490558296679
                   +0 :               0.00362794962947
                   +1 :              -0.00000000000000
                   +2 :              -0.00133465728349
                6p
                   -1 :              -0.00549435904788
                   +0 :              -0.00216725727084
                   +1 :               0.00000000000000
                4f
                   -3 :               0.01853585593239
                   -2 :               0.00000000000000
                   -1 :              -0.01270282561304
                   +0 :               0.01475254658589
                   +1 :               0.00000000000000
                   +2 :               0.03132749218837
                   +3 :              -0.00000000000000
              3 vec=    -7.146377     -3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :               0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :              -0.00050173921368
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :               0.00158066460153
                   +0 :               0.00084821302917
                   +1 :              -0.00079716822973
                   +2 :              -0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :              -0.00029167972782
                   +0 :              -0.00034598653894
                   +1 :               0.00032312208979
                   +2 :               0.00006040043700
                6p
                   -1 :               0.00005676736322
                   +0 :               0.00033210820600
                   +1 :              -0.00012440781411
                4f
                   -3 :               0.00094870498024
                   -2 :              -0.00085304147635
                   -1 :               0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :               0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :              -0.00147951006321
              4 vec=    -7.146377      3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :              -0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :              -0.00050173921368
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :              -0.00158066460153
                   +0 :               0.00084821302917
                   +1 :              -0.00079716822973
                   +2 :              -0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :               0.00029167972782
                   +0 :              -0.00034598653894
                   +1 :               0.00032312208979
                   +2 :               0.00006040043700
                6p
                   -1 :              -0.00005676736322
                   +0 :               0.00033210820600
                   +1 :              -0.00012440781411
                4f
                   -3 :              -0.00094870498024
                   -2 :               0.00085304147635
                   -1 :              -0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :               0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :              -0.00147951006321
              5 vec=     7.146377     -3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :               0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :               0.00050173921368
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :              -0.00236687845244
                   -1 :               0.00158066460153
                   +0 :               0.00084821302917
                   +1 :               0.00079716822973
                   +2 :              -0.00064703926805
                6d
                   -2 :               0.00043026655558
                   -1 :              -0.00029167972782
                   +0 :              -0.00034598653894
                   +1 :              -0.00032312208979
                   +2 :               0.00006040043700
                6p
                   -1 :               0.00005676736322
                   +0 :               0.00033210820600
                   +1 :               0.00012440781411
                4f
                   -3 :               0.00094870498024
                   -2 :               0.00085304147635
                   -1 :               0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :              -0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :               0.00147951006321
              6 vec=     7.146377      3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00020897674738
                5p
                   -1 :              -0.00055002749903
                   +0 :              -0.00052778043993
                   +1 :               0.00050173921368
                6s
                   +0 :              -0.00123263687737
                7s
                   +0 :               0.00040427328395
                5d
                   -2 :               0.00236687845244
                   -1 :              -0.00158066460153
                   +0 :               0.00084821302917
                   +1 :               0.00079716822973
                   +2 :              -0.00064703926805
                6d
                   -2 :              -0.00043026655558
                   -1 :               0.00029167972782
                   +0 :              -0.00034598653894
                   +1 :              -0.00032312208979
                   +2 :               0.00006040043700
                6p
                   -1 :              -0.00005676736322
                   +0 :               0.00033210820600
                   +1 :               0.00012440781411
                4f
                   -3 :              -0.00094870498024
                   -2 :              -0.00085304147635
                   -1 :              -0.00047663199288
                   +0 :              -0.00098829557679
                   +1 :              -0.00094520748035
                   +2 :              -0.00031079160124
                   +3 :               0.00147951006321
              7 vec=    -3.573189      0.000000     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00230954337332
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00051993169399
                   +1 :               0.00148493261069
                6s
                   +0 :               0.00146348368404
                7s
                   +0 :               0.00007587939234
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00603350911328
                   +1 :               0.00528013241728
                   +2 :               0.00065232776045
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00073140564984
                   +1 :              -0.00129461129057
                   +2 :              -0.00000065669579
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00046453601232
                   +1 :               0.00030330393414
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00458881425718
                   +1 :               0.00290084019951
                   +2 :               0.00071767872813
                   +3 :               0.00076472417362
              8 vec=     3.573189      0.000000     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00230954337332
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00051993169399
                   +1 :              -0.00148493261069
                6s
                   +0 :               0.00146348368404
                7s
                   +0 :               0.00007587939234
                5d
                   -2 :               0.00000000000000
                   +0 :              -0.00603350911328
                   +1 :              -0.00528013241728
                   +2 :               0.00065232776045
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00073140564984
                   +1 :               0.00129461129057
                   +2 :              -0.00000065669579
                6p
                   +0 :               0.00046453601232
                   +1 :              -0.00030330393414
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00458881425718
                   +1 :              -0.00290084019951
                   +2 :               0.00071767872813
                   +3 :              -0.00076472417362
              9 vec=     0.000000    -10.719566      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00022450221917
                5p
                   -1 :               0.00279064054404
                   +0 :              -0.00007670793366
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00197006327262
                7s
                   +0 :              -0.00004904223912
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00056466695008
                   +0 :              -0.00120686604766
                   +1 :              -0.00000000000000
                   +2 :              -0.00081815225090
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00081731124735
                   +0 :               0.00018604380902
                   +1 :               0.00000000000000
                   +2 :               0.00014627076904
                6p
                   -1 :               0.00127664218987
                   +0 :               0.00024676116885
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00023899196256
                   -2 :              -0.00000000000000
                   -1 :              -0.00015035536602
                   +0 :               0.00033786596913
                   +1 :              -0.00000000000000
                   +2 :               0.00110862701630
                   +3 :               0.00000000000000
             10 vec=     0.000000     10.719566      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00022450221917
                5p
                   -1 :              -0.00279064054404
                   +0 :              -0.00007670793366
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00197006327262
                7s
                   +0 :              -0.00004904223912
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00056466695008
                   +0 :              -0.00120686604766
                   +1 :              -0.00000000000000
                   +2 :              -0.00081815225090
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00081731124735
                   +0 :               0.00018604380902
                   +1 :              -0.00000000000000
                   +2 :               0.00014627076904
                6p
                   -1 :              -0.00127664218987
                   +0 :               0.00024676116885
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00023899196256
                   -2 :              -0.00000000000000
                   -1 :               0.00015035536602
                   +0 :               0.00033786596913
                   +1 :               0.00000000000000
                   +2 :               0.00110862701630
             11 vec=    -3.573189     -7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :              -0.00008913327814
                   +0 :               0.00013107401584
                   +1 :               0.00019230524259
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :               0.00025885846651
                   +0 :              -0.00060652960519
                   +1 :               0.00100959768330
                   +2 :               0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :               0.00024611747861
                   +0 :               0.00046385736540
                   +1 :               0.00071447494479
                   +2 :               0.00006217455727
                6p
                   -1 :               0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :              -0.00002873016068
                4f
                   -3 :               0.00056642609151
                   -2 :               0.00019598458458
                   -1 :               0.00020793112235
                   +0 :               0.00003219904765
                   +1 :               0.00077487980493
                   +2 :               0.00089888217152
                   +3 :               0.00041974721422
             12 vec=    -3.573189      7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :               0.00008913327814
                   +0 :               0.00013107401584
                   +1 :               0.00019230524259
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :              -0.00025885846651
                   +0 :              -0.00060652960519
                   +1 :               0.00100959768330
                   +2 :               0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :              -0.00024611747861
                   +0 :               0.00046385736540
                   +1 :               0.00071447494479
                   +2 :               0.00006217455727
                6p
                   -1 :              -0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :              -0.00002873016068
                4f
                   -3 :              -0.00056642609151
                   -2 :              -0.00019598458458
                   -1 :              -0.00020793112235
                   +0 :               0.00003219904765
                   +1 :               0.00077487980493
                   +2 :               0.00089888217152
                   +3 :               0.00041974721422
             13 vec=     3.573189     -7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :              -0.00008913327814
                   +0 :               0.00013107401584
                   +1 :              -0.00019230524259
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :              -0.00075700320404
                   -1 :               0.00025885846651
                   +0 :              -0.00060652960519
                   +1 :              -0.00100959768330
                   +2 :               0.00178904963113
                6d
                   -2 :              -0.00003404800947
                   -1 :               0.00024611747861
                   +0 :               0.00046385736540
                   +1 :              -0.00071447494479
                   +2 :               0.00006217455727
                6p
                   -1 :               0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :               0.00002873016068
                4f
                   -3 :               0.00056642609151
                   -2 :              -0.00019598458458
                   -1 :               0.00020793112235
                   +0 :               0.00003219904765
                   +1 :              -0.00077487980493
                   +2 :               0.00089888217152
                   +3 :              -0.00041974721422
             14 vec=     3.573189      7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00081385842362
                5p
                   -1 :               0.00008913327814
                   +0 :               0.00013107401584
                   +1 :              -0.00019230524259
                6s
                   +0 :               0.00101718055647
                7s
                   +0 :              -0.00038472709852
                5d
                   -2 :               0.00075700320404
                   -1 :              -0.00025885846651
                   +0 :              -0.00060652960519
                   +1 :              -0.00100959768330
                   +2 :               0.00178904963113
                6d
                   -2 :               0.00003404800947
                   -1 :              -0.00024611747861
                   +0 :               0.00046385736540
                   +1 :              -0.00071447494479
                   +2 :               0.00006217455727
                6p
                   -1 :              -0.00000225137321
                   +0 :              -0.00032521128097
                   +1 :               0.00002873016068
                4f
                   -3 :              -0.00056642609151
                   -2 :               0.00019598458458
                   -1 :              -0.00020793112235
                   +0 :               0.00003219904765
                   +1 :              -0.00077487980493
                   +2 :               0.00089888217152
                   +3 :              -0.00041974721422
             15 vec=    -7.146377    -10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :               0.00020768578734
                   +0 :               0.00027610280559
                   +1 :               0.00010496252411
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :               0.00097016474788
                   +0 :              -0.00098698905226
                   +1 :               0.00088199855622
                   +2 :               0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :              -0.00009651193576
                   +0 :               0.00004833134530
                   +1 :              -0.00010125450187
                   +2 :              -0.00004262716936
                6p
                   -1 :               0.00026340693407
                   +0 :               0.00006573254624
                   +1 :               0.00019173936431
                4f
                   -3 :               0.00073046116115
                   -2 :               0.00051474482176
                   -1 :              -0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :              -0.00039685382606
                   +2 :               0.00046891102346
                   +3 :              -0.00024781997375
             16 vec=    -7.146377     10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :              -0.00020768578734
                   +0 :               0.00027610280559
                   +1 :               0.00010496252411
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :              -0.00097016474788
                   +0 :              -0.00098698905226
                   +1 :               0.00088199855622
                   +2 :               0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :               0.00009651193576
                   +0 :               0.00004833134530
                   +1 :              -0.00010125450187
                   +2 :              -0.00004262716936
                6p
                   -1 :              -0.00026340693407
                   +0 :               0.00006573254624
                   +1 :               0.00019173936431
                4f
                   -3 :              -0.00073046116115
                   -2 :              -0.00051474482176
                   -1 :               0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :              -0.00039685382606
                   +2 :               0.00046891102346
                   +3 :              -0.00024781997375
             17 vec=     7.146377    -10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :               0.00020768578734
                   +0 :               0.00027610280559
                   +1 :              -0.00010496252411
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :              -0.00186613449009
                   -1 :               0.00097016474788
                   +0 :              -0.00098698905226
                   +1 :              -0.00088199855622
                   +2 :               0.00059329825838
                6d
                   -2 :               0.00012053704019
                   -1 :              -0.00009651193576
                   +0 :               0.00004833134530
                   +1 :               0.00010125450187
                   +2 :              -0.00004262716936
                6p
                   -1 :               0.00026340693407
                   +0 :               0.00006573254624
                   +1 :              -0.00019173936431
                4f
                   -3 :               0.00073046116115
                   -2 :              -0.00051474482176
                   -1 :              -0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :               0.00039685382606
                   +2 :               0.00046891102346
                   +3 :               0.00024781997375
             18 vec=     7.146377     10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00008738814436
                5p
                   -1 :              -0.00020768578734
                   +0 :               0.00027610280559
                   +1 :              -0.00010496252411
                6s
                   +0 :              -0.00129442968554
                7s
                   +0 :               0.00016377103848
                5d
                   -2 :               0.00186613449009
                   -1 :              -0.00097016474788
                   +0 :              -0.00098698905226
                   +1 :              -0.00088199855622
                   +2 :               0.00059329825838
                6d
                   -2 :              -0.00012053704019
                   -1 :               0.00009651193576
                   +0 :               0.00004833134530
                   +1 :               0.00010125450187
                   +2 :              -0.00004262716936
                6p
                   -1 :              -0.00026340693407
                   +0 :               0.00006573254624
                   +1 :              -0.00019173936431
                4f
                   -3 :              -0.00073046116115
                   -2 :               0.00051474482176
                   -1 :               0.00017501729436
                   +0 :              -0.00045009981386
                   +1 :               0.00039685382606
                   +2 :               0.00046891102346
                   +3 :               0.00024781997375
             19 vec=   -10.719566      0.000000     -9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00021776219014
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00020491580866
                   +1 :              -0.00005003294667
                6s
                   +0 :               0.00043626830404
                7s
                   +0 :              -0.00005882092797
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00030265691281
                   +1 :              -0.00051567177703
                   +2 :               0.00105863067138
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00008575327766
                   +1 :               0.00027996447683
                   +2 :              -0.00012538473919
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012193191273
                   +1 :              -0.00007980819143
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00038989399535
                   +1 :              -0.00032186113501
                   +2 :               0.00039276033208
                   +3 :               0.00043885198280
             20 vec=    10.719566      0.000000     -9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00021776219014
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00020491580866
                   +1 :               0.00005003294667
                6s
                   +0 :               0.00043626830404
                7s
                   +0 :              -0.00005882092797
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00030265691281
                   +1 :               0.00051567177703
                   +2 :               0.00105863067138
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00008575327766
                   +1 :              -0.00027996447683
                   +2 :              -0.00012538473919
                6p
                   +0 :              -0.00012193191273
                   +1 :               0.00007980819143
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00038989399535
                   +1 :               0.00032186113501
                   +2 :               0.00039276033208
                   +3 :              -0.00043885198280
             21 vec=   -14.292755     -3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :              -0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :               0.00003031652726
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :              -0.00012049323711
                   +0 :              -0.00015764691915
                   +1 :               0.00019332658174
                   +2 :               0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :               0.00002103239887
                   +0 :               0.00005823285434
                   +1 :              -0.00007908743826
                   +2 :              -0.00012821844315
                6p
                   -1 :              -0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :               0.00003756854846
                4f
                   -3 :               0.00001741439719
                   -2 :               0.00005222944870
                   -1 :              -0.00001349838832
                   +0 :               0.00002910996144
                   +1 :              -0.00021032058004
                   +2 :               0.00030791070258
                   +3 :               0.00040125728033
             22 vec=   -14.292755      3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :               0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :               0.00003031652726
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :               0.00012049323711
                   +0 :              -0.00015764691915
                   +1 :               0.00019332658174
                   +2 :               0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :              -0.00002103239887
                   +0 :               0.00005823285434
                   +1 :              -0.00007908743826
                   +2 :              -0.00012821844315
                6p
                   -1 :               0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :               0.00003756854846
                4f
                   -3 :              -0.00001741439719
                   -2 :              -0.00005222944870
                   -1 :               0.00001349838832
                   +0 :               0.00002910996144
                   +1 :              -0.00021032058004
                   +2 :               0.00030791070258
                   +3 :               0.00040125728033
             23 vec=    14.292755     -3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :              -0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :              -0.00003031652726
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :               0.00013639985342
                   -1 :              -0.00012049323711
                   +0 :              -0.00015764691915
                   +1 :              -0.00019332658174
                   +2 :               0.00065350233973
                6d
                   -2 :              -0.00002865556910
                   -1 :               0.00002103239887
                   +0 :               0.00005823285434
                   +1 :               0.00007908743826
                   +2 :              -0.00012821844315
                6p
                   -1 :              -0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :              -0.00003756854846
                4f
                   -3 :               0.00001741439719
                   -2 :              -0.00005222944870
                   -1 :              -0.00001349838832
                   +0 :               0.00002910996144
                   +1 :               0.00021032058004
                   +2 :               0.00030791070258
                   +3 :              -0.00040125728033
             24 vec=    14.292755      3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00005266477360
                5p
                   -1 :               0.00001541931482
                   +0 :              -0.00000139370900
                   +1 :              -0.00003031652726
                6s
                   +0 :              -0.00007521989018
                7s
                   +0 :               0.00002405966412
                5d
                   -2 :              -0.00013639985342
                   -1 :               0.00012049323711
                   +0 :              -0.00015764691915
                   +1 :              -0.00019332658174
                   +2 :               0.00065350233973
                6d
                   -2 :               0.00002865556910
                   -1 :              -0.00002103239887
                   +0 :               0.00005823285434
                   +1 :               0.00007908743826
                   +2 :              -0.00012821844315
                6p
                   -1 :               0.00003323536044
                   +0 :              -0.00000379037813
                   +1 :              -0.00003756854846
                4f
                   -3 :              -0.00001741439719
                   -2 :               0.00005222944870
                   -1 :               0.00001349838832
                   +0 :               0.00002910996144
                   +1 :               0.00021032058004
                   +2 :               0.00030791070258
                   +3 :              -0.00040125728033
             25 vec=   -10.719566     -7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :              -0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :              -0.00000773365225
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :              -0.00004871431986
                   +0 :               0.00013075127907
                   +1 :               0.00000095645905
                   +2 :               0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :               0.00004256903783
                   +0 :              -0.00000417867534
                   +1 :               0.00004654881293
                   +2 :              -0.00009508356365
                6p
                   -1 :              -0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :              -0.00002218002993
                4f
                   -3 :               0.00004054917584
                   -2 :              -0.00004069815961
                   -1 :               0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :               0.00003038952493
                   +2 :               0.00027723232049
                   +3 :               0.00033992812014
             26 vec=   -10.719566      7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :               0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :              -0.00000773365225
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :               0.00004871431986
                   +0 :               0.00013075127907
                   +1 :               0.00000095645905
                   +2 :               0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :              -0.00004256903783
                   +0 :              -0.00000417867534
                   +1 :               0.00004654881293
                   +2 :              -0.00009508356365
                6p
                   -1 :               0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :              -0.00002218002993
                4f
                   -3 :              -0.00004054917584
                   -2 :               0.00004069815961
                   -1 :              -0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :               0.00003038952493
                   +2 :               0.00027723232049
                   +3 :               0.00033992812014
             27 vec=    10.719566     -7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :              -0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :               0.00000773365225
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :               0.00021972089368
                   -1 :              -0.00004871431986
                   +0 :               0.00013075127907
                   +1 :              -0.00000095645905
                   +2 :               0.00076605451602
                6d
                   -2 :              -0.00001677933742
                   -1 :               0.00004256903783
                   +0 :              -0.00000417867534
                   +1 :              -0.00004654881293
                   +2 :              -0.00009508356365
                6p
                   -1 :              -0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :               0.00002218002993
                4f
                   -3 :               0.00004054917584
                   -2 :               0.00004069815961
                   -1 :               0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :              -0.00003038952493
                   +2 :               0.00027723232049
                   +3 :              -0.00033992812014
             28 vec=    10.719566      7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00002582093494
                5p
                   -1 :               0.00001839799174
                   +0 :              -0.00002466693458
                   +1 :               0.00000773365225
                6s
                   +0 :               0.00032449816956
                7s
                   +0 :              -0.00004680109999
                5d
                   -2 :              -0.00021972089368
                   -1 :               0.00004871431986
                   +0 :               0.00013075127907
                   +1 :              -0.00000095645905
                   +2 :               0.00076605451602
                6d
                   -2 :               0.00001677933742
                   -1 :              -0.00004256903783
                   +0 :              -0.00000417867534
                   +1 :              -0.00004654881293
                   +2 :              -0.00009508356365
                6p
                   -1 :               0.00006159638205
                   +0 :              -0.00005629104851
                   +1 :               0.00002218002993
                4f
                   -3 :              -0.00004054917584
                   -2 :              -0.00004069815961
                   -1 :              -0.00013858895717
                   +0 :              -0.00007094263221
                   +1 :              -0.00003038952493
                   +2 :               0.00027723232049
                   +3 :              -0.00033992812014
             29 vec=    -3.573189      0.000000     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00006555531155
                5p
                   +0 :              -0.00046058148214
                   +1 :               0.00022300709583
                6s
                   +0 :              -0.00044923700156
                7s
                   +0 :               0.00000268796827
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00051920995441
                   +1 :              -0.00054960224376
                   +2 :              -0.00019874633765
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00017339373169
                   +1 :               0.00003101413890
                   +2 :               0.00003357719129
                6p
                   +0 :              -0.00008200015026
                   +1 :               0.00002794847968
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00012571801370
                   +1 :               0.00016902019222
                   +2 :              -0.00002515034958
                   +3 :               0.00021247948204
             30 vec=     3.573189      0.000000     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00006555531155
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00046058148214
                   +1 :              -0.00022300709583
                6s
                   +0 :              -0.00044923700156
                7s
                   +0 :               0.00000268796827
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00051920995441
                   +1 :               0.00054960224376
                   +2 :              -0.00019874633765
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00017339373169
                   +1 :              -0.00003101413890
                   +2 :               0.00003357719129
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00008200015026
                   +1 :              -0.00002794847968
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00012571801370
                   +1 :              -0.00016902019222
                   +2 :              -0.00002515034958
                   +3 :              -0.00021247948204
             31 vec=    -3.573189    -14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :              -0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :              -0.00003458886620
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :              -0.00021576977093
                   +0 :               0.00011409890686
                   +1 :               0.00002139153256
                   +2 :               0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :               0.00008234263744
                   +0 :              -0.00003386527501
                   +1 :               0.00003614696917
                   +2 :              -0.00017950261659
                6p
                   -1 :              -0.00005020106588
                   +0 :               0.00003295719875
                   +1 :               0.00006795787151
                4f
                   -3 :               0.00032146156183
                   -2 :              -0.00002068703895
                   -1 :               0.00004450853652
                   +0 :               0.00000755195469
                   +1 :              -0.00006827076983
                   +2 :               0.00029116513285
                   +3 :               0.00009883957644
             32 vec=    -3.573189     14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :               0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :              -0.00003458886620
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :               0.00021576977093
                   +0 :               0.00011409890686
                   +1 :               0.00002139153256
                   +2 :               0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :              -0.00008234263744
                   +0 :              -0.00003386527501
                   +1 :               0.00003614696917
                   +2 :              -0.00017950261659
                6p
                   -1 :               0.00005020106588
                   +0 :               0.00003295719875
                   +1 :               0.00006795787151
                4f
                   -3 :              -0.00032146156183
                   -2 :               0.00002068703895
                   -1 :              -0.00004450853652
                   +0 :               0.00000755195469
                   +1 :              -0.00006827076983
                   +2 :               0.00029116513285
                   +3 :               0.00009883957644
             33 vec=     3.573189    -14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :              -0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :               0.00003458886620
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :              -0.00012528734910
                   -1 :              -0.00021576977093
                   +0 :               0.00011409890686
                   +1 :              -0.00002139153256
                   +2 :               0.00084092569194
                6d
                   -2 :               0.00002441034484
                   -1 :               0.00008234263744
                   +0 :              -0.00003386527501
                   +1 :              -0.00003614696917
                   +2 :              -0.00017950261659
                6p
                   -1 :              -0.00005020106588
                   +0 :               0.00003295719875
                   +1 :              -0.00006795787151
                4f
                   -3 :               0.00032146156183
                   -2 :               0.00002068703895
                   -1 :               0.00004450853652
                   +0 :               0.00000755195469
                   +1 :               0.00006827076983
                   +2 :               0.00029116513285
                   +3 :              -0.00009883957644
             34 vec=     3.573189     14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00005236794733
                5p
                   -1 :               0.00007689382838
                   +0 :              -0.00005213315304
                   +1 :               0.00003458886620
                6s
                   +0 :               0.00004214663858
                7s
                   +0 :              -0.00004197786287
                5d
                   -2 :               0.00012528734910
                   -1 :               0.00021576977093
                   +0 :               0.00011409890686
                   +1 :              -0.00002139153256
                   +2 :               0.00084092569194
                6d
                   -2 :              -0.00002441034484
                   -1 :              -0.00008234263744
                   +0 :              -0.00003386527501
                   +1 :              -0.00003614696917
                   +2 :              -0.00017950261659
                6p
                   -1 :               0.00005020106588
                   +0 :               0.00003295719875
                   +1 :              -0.00006795787151
                4f
                   -3 :              -0.00032146156183
                   -2 :              -0.00002068703895
                   -1 :              -0.00004450853652
                   +0 :               0.00000755195469
                   +1 :               0.00006827076983
                   +2 :               0.00029116513285
                   +3 :              -0.00009883957644
             35 vec=    -3.573189     -7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :               0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :               0.00003807059968
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :              -0.00034077778033
                   +0 :              -0.00006187107935
                   +1 :               0.00014190555534
                   +2 :              -0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :              -0.00001254759699
                   +0 :               0.00010253598158
                   +1 :              -0.00008203279828
                   +2 :               0.00006583903567
                6p
                   -1 :               0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :              -0.00003545439264
                4f
                   -3 :              -0.00015893910375
                   -2 :               0.00010507542416
                   -1 :               0.00011551977224
                   +0 :               0.00009951932763
                   +1 :              -0.00006073602824
                   +2 :               0.00026405371351
                   +3 :               0.00007051555503
             36 vec=    -3.573189      7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :              -0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :               0.00003807059968
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :               0.00034077778033
                   +0 :              -0.00006187107935
                   +1 :               0.00014190555534
                   +2 :              -0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :               0.00001254759699
                   +0 :               0.00010253598158
                   +1 :              -0.00008203279828
                   +2 :               0.00006583903567
                6p
                   -1 :              -0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :              -0.00003545439264
                4f
                   -3 :               0.00015893910375
                   -2 :              -0.00010507542416
                   -1 :              -0.00011551977224
                   +0 :               0.00009951932763
                   +1 :              -0.00006073602824
                   +2 :               0.00026405371351
                   +3 :               0.00007051555503
             37 vec=     3.573189     -7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :               0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :              -0.00003807059968
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :               0.00009198917336
                   -1 :              -0.00034077778033
                   +0 :              -0.00006187107935
                   +1 :              -0.00014190555534
                   +2 :              -0.00056097716275
                6d
                   -2 :               0.00000498110733
                   -1 :              -0.00001254759699
                   +0 :               0.00010253598158
                   +1 :               0.00008203279828
                   +2 :               0.00006583903567
                6p
                   -1 :               0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :               0.00003545439264
                4f
                   -3 :              -0.00015893910375
                   -2 :              -0.00010507542416
                   -1 :               0.00011551977224
                   +0 :               0.00009951932763
                   +1 :               0.00006073602824
                   +2 :               0.00026405371351
                   +3 :              -0.00007051555503
             38 vec=     3.573189      7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00007745535052
                5p
                   -1 :              -0.00011568892937
                   +0 :              -0.00011075422668
                   +1 :              -0.00003807059968
                6s
                   +0 :              -0.00002625038295
                7s
                   +0 :              -0.00005324907004
                5d
                   -2 :              -0.00009198917336
                   -1 :               0.00034077778033
                   +0 :              -0.00006187107935
                   +1 :              -0.00014190555534
                   +2 :              -0.00056097716275
                6d
                   -2 :              -0.00000498110733
                   -1 :               0.00001254759699
                   +0 :               0.00010253598158
                   +1 :               0.00008203279828
                   +2 :               0.00006583903567
                6p
                   -1 :              -0.00001495187633
                   +0 :              -0.00005739698462
                   +1 :               0.00003545439264
                4f
                   -3 :               0.00015893910375
                   -2 :               0.00010507542416
                   -1 :              -0.00011551977224
                   +0 :               0.00009951932763
                   +1 :               0.00006073602824
                   +2 :               0.00026405371351
                   +3 :              -0.00007051555503
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site Cu(  3)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.01530253422894
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.04229786675063
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00889553580256
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.04161773315159
                   +1 :              -0.00000000000000
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.01530253422894
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.04229786675063
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00889553580256
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.04161773315159
                   +1 :              -0.00000000000000
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00200970294763
                   +1 :               0.00133800432514
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00025121245453
                   +1 :              -0.00002051543871
                   +2 :               0.00000000000000
                4p
                   +0 :              -0.00030807944586
                   +1 :              -0.00000000000000
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00200970294763
                   +0 :              -0.00000000000000
                   +1 :               0.00133800432514
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00025121245453
                   +0 :              -0.00000000000000
                   +1 :              -0.00002051543871
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :               0.00000000000000
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00200970294763
                   +1 :              -0.00133800432514
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00025121245453
                   +0 :               0.00000000000000
                   +1 :               0.00002051543871
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :               0.00000000000000
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00039678088532
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00200970294763
                   +0 :              -0.00000000000000
                   +1 :              -0.00133800432514
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00025121245453
                   +0 :               0.00000000000000
                   +1 :               0.00002051543871
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00030807944586
                   +1 :              -0.00000000000000
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007650431587
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00144777515375
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00038681855075
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00212270930778
                   +1 :               0.00000000000000
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007650431587
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00144777515375
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00038681855075
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00212270930778
                   +1 :               0.00000000000000
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00003014102700
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00040076681599
                   +1 :               0.00007121204027
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001066992263
                   +1 :              -0.00000780964672
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011074147574
                   +1 :               0.00000000000000
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00003014102700
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00040076681599
                   +0 :              -0.00000000000000
                   +1 :               0.00007121204027
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001066992263
                   +1 :              -0.00000780964672
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00011074147574
                   +1 :              -0.00000000000000
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00003014102700
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00040076681599
                   +1 :              -0.00007121204027
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001066992263
                   +1 :               0.00000780964672
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00011074147574
                   +1 :              -0.00000000000000
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00003014102700
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00040076681599
                   +1 :              -0.00007121204027
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001066992263
                   +0 :              -0.00000000000000
                   +1 :               0.00000780964672
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011074147574
                   +1 :               0.00000000000000
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00089324859761
                3p
                   -1 :               0.00007040664670
                   +0 :               0.00020230904893
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00420884371221
                5s
                   +0 :              -0.00054753582933
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00047495366855
                   +0 :               0.00055943173047
                   +1 :               0.00000000000000
                   +2 :              -0.00013417339522
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00012821364734
                   +0 :               0.00009038045813
                   +1 :              -0.00000000000000
                   +2 :              -0.00003469602360
                4p
                   -1 :              -0.00058587857524
                   +0 :              -0.00156953805325
                   +1 :              -0.00000000000000
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00089324859761
                3p
                   -1 :              -0.00007040664670
                   +0 :               0.00020230904893
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00420884371221
                5s
                   +0 :               0.00054753582933
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00047495366855
                   +0 :              -0.00055943173047
                   +2 :               0.00013417339522
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00012821364734
                   +0 :              -0.00009038045813
                   +1 :              -0.00000000000000
                   +2 :               0.00003469602360
                4p
                   -1 :               0.00058587857524
                   +0 :              -0.00156953805325
                   +1 :               0.00000000000000
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00089324859761
                3p
                   -1 :              -0.00007040664670
                   +0 :               0.00020230904893
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00420884371221
                5s
                   +0 :              -0.00054753582933
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00047495366855
                   +0 :               0.00055943173047
                   +2 :              -0.00013417339522
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00012821364734
                   +0 :               0.00009038045813
                   +1 :               0.00000000000000
                   +2 :              -0.00003469602360
                4p
                   -1 :               0.00058587857524
                   +0 :              -0.00156953805325
                   +1 :               0.00000000000000
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00089324859761
                3p
                   -1 :               0.00007040664670
                   +0 :               0.00020230904893
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00420884371221
                5s
                   +0 :               0.00054753582933
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00047495366855
                   +0 :              -0.00055943173047
                   +1 :               0.00000000000000
                   +2 :               0.00013417339522
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012821364734
                   +0 :              -0.00009038045813
                   +1 :               0.00000000000000
                   +2 :               0.00003469602360
                4p
                   -1 :              -0.00058587857524
                   +0 :              -0.00156953805325
                   +1 :              -0.00000000000000
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00016004765830
                   +0 :               0.00000000000000
                   +1 :              -0.00001892197346
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00005040508917
                   +1 :              -0.00000619191951
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00007388664394
                   +1 :               0.00000000000000
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00016004765830
                   +0 :              -0.00000000000000
                   +1 :              -0.00001892197346
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00005040508917
                   +1 :              -0.00000619191951
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00007388664394
                   +1 :               0.00000000000000
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00016004765830
                   +0 :              -0.00000000000000
                   +1 :               0.00001892197346
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00005040508917
                   +0 :               0.00000000000000
                   +1 :               0.00000619191951
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00007388664394
                   +1 :               0.00000000000000
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00007619786242
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00016004765830
                   +0 :              -0.00000000000000
                   +1 :               0.00001892197346
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00005040508917
                   +0 :               0.00000000000000
                   +1 :               0.00000619191951
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00007388664394
                   +1 :               0.00000000000000
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :              -0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :              -0.00007933901942
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :              -0.00003347830830
                   +0 :               0.00012778126547
                   +1 :              -0.00009241419255
                   +2 :               0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :              -0.00001706420904
                   +0 :               0.00000855264036
                   +1 :              -0.00003662412378
                   +2 :               0.00001251073334
                4p
                   -1 :               0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :               0.00007786720725
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :               0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :               0.00007933901942
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :              -0.00003347830830
                   +0 :              -0.00012778126547
                   +1 :              -0.00009241419255
                   +2 :              -0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :              -0.00001706420904
                   +0 :              -0.00000855264036
                   +1 :              -0.00003662412378
                   +2 :              -0.00001251073334
                4p
                   -1 :              -0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :              -0.00007786720725
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :               0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :              -0.00007933901942
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :               0.00003347830830
                   +0 :               0.00012778126547
                   +1 :              -0.00009241419255
                   +2 :               0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :               0.00001706420904
                   +0 :               0.00000855264036
                   +1 :              -0.00003662412378
                   +2 :               0.00001251073334
                4p
                   -1 :              -0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :               0.00007786720725
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :              -0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :               0.00007933901942
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :               0.00003347830830
                   +0 :              -0.00012778126547
                   +1 :              -0.00009241419255
                   +2 :              -0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :               0.00001706420904
                   +0 :              -0.00000855264036
                   +1 :              -0.00003662412378
                   +2 :              -0.00001251073334
                4p
                   -1 :               0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :              -0.00007786720725
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :              -0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :               0.00007933901942
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :              -0.00003347830830
                   +0 :               0.00012778126547
                   +1 :               0.00009241419255
                   +2 :               0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :              -0.00001706420904
                   +0 :               0.00000855264036
                   +1 :               0.00003662412378
                   +2 :               0.00001251073334
                4p
                   -1 :               0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :              -0.00007786720725
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :               0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :              -0.00007933901942
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :              -0.00003347830830
                   +0 :              -0.00012778126547
                   +1 :               0.00009241419255
                   +2 :              -0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :              -0.00001706420904
                   +0 :              -0.00000855264036
                   +1 :               0.00003662412378
                   +2 :              -0.00001251073334
                4p
                   -1 :              -0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :               0.00007786720725
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00008547553484
                3p
                   -1 :               0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :               0.00007933901942
                4s
                   +0 :               0.00034600677923
                5s
                   +0 :              -0.00008233043207
                3d
                   -2 :              -0.00008268878278
                   -1 :               0.00003347830830
                   +0 :               0.00012778126547
                   +1 :               0.00009241419255
                   +2 :               0.00006233418165
                4d
                   -2 :              -0.00003890811074
                   -1 :               0.00001706420904
                   +0 :               0.00000855264036
                   +1 :               0.00003662412378
                   +2 :               0.00001251073334
                4p
                   -1 :              -0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :              -0.00007786720725
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00008547553484
                3p
                   -1 :              -0.00005528802779
                   +0 :              -0.00002249786724
                   +1 :              -0.00007933901942
                4s
                   +0 :              -0.00034600677923
                5s
                   +0 :               0.00008233043207
                3d
                   -2 :               0.00008268878278
                   -1 :               0.00003347830830
                   +0 :              -0.00012778126547
                   +1 :               0.00009241419255
                   +2 :              -0.00006233418165
                4d
                   -2 :               0.00003890811074
                   -1 :               0.00001706420904
                   +0 :              -0.00000855264036
                   +1 :               0.00003662412378
                   +2 :              -0.00001251073334
                4p
                   -1 :               0.00006863156023
                   +0 :              -0.00000297690712
                   +1 :               0.00007786720725
             29 vec=     0.000000    -10.719566    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00010422638670
                3p
                   -1 :              -0.00001372791162
                   +0 :               0.00003051521662
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00061466888939
                5s
                   +0 :              -0.00019324641713
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00007974417646
                   +0 :               0.00004931150265
                   +1 :               0.00000000000000
                   +2 :              -0.00002375436394
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00003426438719
                   +0 :              -0.00000605724715
                   +1 :               0.00000000000000
                   +2 :               0.00002894570796
                4p
                   -1 :              -0.00008372008865
                   +0 :              -0.00014843304905
                   +1 :              -0.00000000000000
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00010422638670
                3p
                   -1 :               0.00001372791162
                   +0 :               0.00003051521662
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00061466888939
                5s
                   +0 :               0.00019324641713
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00007974417646
                   +0 :              -0.00004931150265
                   +1 :              -0.00000000000000
                   +2 :               0.00002375436394
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00003426438719
                   +0 :               0.00000605724715
                   +1 :              -0.00000000000000
                   +2 :              -0.00002894570796
                4p
                   -1 :               0.00008372008865
                   +0 :              -0.00014843304905
                   +1 :               0.00000000000000
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00010422638670
                3p
                   -1 :               0.00001372791162
                   +0 :               0.00003051521662
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00061466888939
                5s
                   +0 :              -0.00019324641713
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00007974417646
                   +0 :               0.00004931150265
                   +2 :              -0.00002375436394
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003426438719
                   +0 :              -0.00000605724715
                   +2 :               0.00002894570796
                4p
                   -1 :               0.00008372008865
                   +0 :              -0.00014843304905
                   +1 :               0.00000000000000
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00010422638670
                3p
                   -1 :              -0.00001372791162
                   +0 :               0.00003051521662
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00061466888939
                5s
                   +0 :               0.00019324641713
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00007974417646
                   +0 :              -0.00004931150265
                   +2 :               0.00002375436394
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00003426438719
                   +0 :               0.00000605724715
                   +2 :              -0.00002894570796
                4p
                   -1 :              -0.00008372008865
                   +0 :              -0.00014843304905
                   +1 :              -0.00000000000000
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000646697375
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00014035370653
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000394125306
                   +2 :               0.00000000000000
                4p
                   +0 :               0.00012644794561
                   +1 :              -0.00000000000000
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012375432276
                   +0 :               0.00000000000000
                   +1 :              -0.00014754462549
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000605411954
                   +0 :               0.00000000000000
                   +1 :              -0.00001503515166
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011120134108
                   +1 :              -0.00000000000000
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00012375432276
                   +0 :               0.00000000000000
                   +1 :              -0.00014754462549
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000605411954
                   +0 :               0.00000000000000
                   +1 :              -0.00001503515166
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011120134108
                   +1 :               0.00000000000000
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012375432276
                   +1 :               0.00014754462549
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000605411954
                   +0 :               0.00000000000000
                   +1 :               0.00001503515166
                   +2 :               0.00000000000000
                4p
                   +0 :               0.00011120134108
                   +1 :               0.00000000000000
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00004568584572
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00012375432276
                   +0 :              -0.00000000000000
                   +1 :               0.00014754462549
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000605411954
                   +1 :               0.00001503515166
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011120134108
                   +1 :              -0.00000000000000
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000646697375
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00014035370653
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000394125306
                   +2 :              -0.00000000000000
                4p
                   +0 :               0.00012644794561
                   +1 :              -0.00000000000000
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :              -0.00000133252098
                   +0 :               0.00002266874450
                   +1 :               0.00001365477646
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :              -0.00005175198090
                   +0 :              -0.00006103245560
                   +1 :              -0.00007448816223
                   +2 :              -0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :              -0.00002286804534
                   +0 :              -0.00000643357051
                   +1 :              -0.00004275347678
                   +2 :              -0.00000262417820
                4p
                   -1 :               0.00004889203564
                   +0 :               0.00002523535291
                   +1 :               0.00002892527513
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :               0.00000133252098
                   +0 :               0.00002266874450
                   +1 :              -0.00001365477646
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :              -0.00005175198090
                   +0 :               0.00006103245560
                   +1 :              -0.00007448816223
                   +2 :               0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :              -0.00002286804534
                   +0 :               0.00000643357051
                   +1 :              -0.00004275347678
                   +2 :               0.00000262417820
                4p
                   -1 :              -0.00004889203564
                   +0 :               0.00002523535291
                   +1 :              -0.00002892527513
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :               0.00000133252098
                   +0 :               0.00002266874450
                   +1 :               0.00001365477646
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :               0.00005175198090
                   +0 :              -0.00006103245560
                   +1 :              -0.00007448816223
                   +2 :              -0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :               0.00002286804534
                   +0 :              -0.00000643357051
                   +1 :              -0.00004275347678
                   +2 :              -0.00000262417820
                4p
                   -1 :              -0.00004889203564
                   +0 :               0.00002523535291
                   +1 :               0.00002892527513
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :              -0.00000133252098
                   +0 :               0.00002266874450
                   +1 :              -0.00001365477646
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :               0.00005175198090
                   +0 :               0.00006103245560
                   +1 :              -0.00007448816223
                   +2 :               0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :               0.00002286804534
                   +0 :               0.00000643357051
                   +1 :              -0.00004275347678
                   +2 :               0.00000262417820
                4p
                   -1 :               0.00004889203564
                   +0 :               0.00002523535291
                   +1 :              -0.00002892527513
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :              -0.00000133252098
                   +0 :               0.00002266874450
                   +1 :              -0.00001365477646
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :              -0.00005175198090
                   +0 :              -0.00006103245560
                   +1 :               0.00007448816223
                   +2 :              -0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :              -0.00002286804534
                   +0 :              -0.00000643357051
                   +1 :               0.00004275347678
                   +2 :              -0.00000262417820
                4p
                   -1 :               0.00004889203564
                   +0 :               0.00002523535291
                   +1 :              -0.00002892527513
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :               0.00000133252098
                   +0 :               0.00002266874450
                   +1 :               0.00001365477646
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :              -0.00005175198090
                   +0 :               0.00006103245560
                   +1 :               0.00007448816223
                   +2 :               0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :              -0.00002286804534
                   +0 :               0.00000643357051
                   +1 :               0.00004275347678
                   +2 :               0.00000262417820
                4p
                   -1 :              -0.00004889203564
                   +0 :               0.00002523535291
                   +1 :               0.00002892527513
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00005282887809
                3p
                   -1 :               0.00000133252098
                   +0 :               0.00002266874450
                   +1 :              -0.00001365477646
                4s
                   +0 :              -0.00021726795171
                5s
                   +0 :               0.00017309413507
                3d
                   -2 :              -0.00007874641499
                   -1 :               0.00005175198090
                   +0 :              -0.00006103245560
                   +1 :               0.00007448816223
                   +2 :              -0.00007798205212
                4d
                   -2 :               0.00000586147501
                   -1 :               0.00002286804534
                   +0 :              -0.00000643357051
                   +1 :               0.00004275347678
                   +2 :              -0.00000262417820
                4p
                   -1 :              -0.00004889203564
                   +0 :               0.00002523535291
                   +1 :              -0.00002892527513
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00005282887809
                3p
                   -1 :              -0.00000133252098
                   +0 :               0.00002266874450
                   +1 :               0.00001365477646
                4s
                   +0 :               0.00021726795171
                5s
                   +0 :              -0.00017309413507
                3d
                   -2 :               0.00007874641499
                   -1 :               0.00005175198090
                   +0 :               0.00006103245560
                   +1 :               0.00007448816223
                   +2 :               0.00007798205212
                4d
                   -2 :              -0.00000586147501
                   -1 :               0.00002286804534
                   +0 :               0.00000643357051
                   +1 :               0.00004275347678
                   +2 :               0.00000262417820
                4p
                   -1 :               0.00004889203564
                   +0 :               0.00002523535291
                   +1 :               0.00002892527513
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site O (  4)  npairs=  34
              1 vec=    -3.573189     -3.573189      0.000000   |vec|=    5.053252
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00202997343056
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00077477631320
                   +1 :              -0.00003387968399
                   +2 :              -0.00000000000000
              2 vec=    -3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00202997343056
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00077477631320
                   +1 :              -0.00003387968399
                   +2 :              -0.00000000000000
              3 vec=     3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00202997343056
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00077477631320
                   +0 :               0.00000000000000
                   +1 :               0.00003387968399
                   +2 :               0.00000000000000
              4 vec=     3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :              -0.00271595839407
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00202997343056
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00077477631320
                   +0 :              -0.00000000000000
                   +1 :               0.00003387968399
                   +2 :               0.00000000000000
              5 vec=   -10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00066522771231
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003346921788
                   +1 :              -0.00002099391639
                   +2 :              -0.00000000000000
              6 vec=   -10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00066522771231
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003346921788
                   +0 :              -0.00000000000000
                   +1 :              -0.00002099391639
                   +2 :              -0.00000000000000
              7 vec=    -3.573189    -10.719566      0.000000   |vec|=   11.299415
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012081729978
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008591585996
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001133088276
                   +1 :               0.00001297801903
                   +2 :               0.00000000000000
              8 vec=    -3.573189     10.719566      0.000000   |vec|=   11.299415
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00012081729978
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00008591585996
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001133088276
                   +1 :               0.00001297801903
                   +2 :               0.00000000000000
              9 vec=     3.573189    -10.719566      0.000000   |vec|=   11.299415
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00012081729978
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00008591585996
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001133088276
                   +1 :              -0.00001297801903
                   +2 :              -0.00000000000000
             10 vec=     3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00012081729978
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008591585996
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001133088276
                   +1 :              -0.00001297801903
                   +2 :              -0.00000000000000
             11 vec=    10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00066522771231
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003346921788
                   +1 :               0.00002099391639
                   +2 :               0.00000000000000
             12 vec=    10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00066522771231
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00023749020650
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003346921788
                   +0 :               0.00000000000000
                   +1 :               0.00002099391639
                   +2 :               0.00000000000000
             13 vec=     0.000000      0.000000    -12.518207   |vec|=   12.518207
                1s
                   +0 :               0.00040748302601
                2s
                   +0 :              -0.00453294741393
                3s
                   +0 :               0.00157480805375
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00323259021048
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00080779954041
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00001901410078
                   +1 :              -0.00000000000000
                   +2 :               0.00001851164511
             14 vec=     0.000000      0.000000     12.518207   |vec|=   12.518207
                1s
                   +0 :              -0.00040748302601
                2s
                   +0 :               0.00453294741393
                3s
                   +0 :              -0.00157480805375
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00323259021048
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00080779954041
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00001901410078
                   +1 :               0.00000000000000
                   +2 :              -0.00001851164511
             15 vec=    -7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00001248912787
                2s
                   +0 :               0.00043192957402
                3s
                   +0 :              -0.00036142457005
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00064545828202
                   +1 :               0.00013004474429
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00046071220714
                   +1 :               0.00048885725875
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004039766032
                   +1 :              -0.00010226613421
                   +2 :              -0.00007428481218
             16 vec=    -7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00001248912787
                2s
                   +0 :              -0.00043192957402
                3s
                   +0 :               0.00036142457005
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00064545828202
                   +1 :              -0.00013004474429
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00046071220714
                   +1 :              -0.00048885725875
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004039766032
                   +1 :              -0.00010226613421
                   +2 :               0.00007428481218
             17 vec=     0.000000     -7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00010470918454
                2s
                   +0 :              -0.00053191922937
                3s
                   +0 :               0.00027628971795
                2p
                   -1 :               0.00031108989481
                   +0 :               0.00010304689590
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00027198130813
                   +0 :              -0.00016612731735
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000594971022
                   +0 :               0.00003176384484
                   +1 :               0.00000000000000
                   +2 :              -0.00001486611481
             18 vec=     0.000000     -7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00010470918454
                2s
                   +0 :               0.00053191922937
                3s
                   +0 :              -0.00027628971795
                2p
                   -1 :              -0.00031108989481
                   +0 :               0.00010304689590
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00027198130813
                   +0 :              -0.00016612731735
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000594971022
                   +0 :              -0.00003176384484
                   +1 :              -0.00000000000000
                   +2 :               0.00001486611481
             19 vec=     0.000000      7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00010470918454
                2s
                   +0 :              -0.00053191922937
                3s
                   +0 :               0.00027628971795
                2p
                   -1 :              -0.00031108989481
                   +0 :               0.00010304689590
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00027198130813
                   +0 :              -0.00016612731735
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000594971022
                   +0 :               0.00003176384484
                   +1 :               0.00000000000000
                   +2 :              -0.00001486611481
             20 vec=     0.000000      7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00010470918454
                2s
                   +0 :               0.00053191922937
                3s
                   +0 :              -0.00027628971795
                2p
                   -1 :               0.00031108989481
                   +0 :               0.00010304689590
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00027198130813
                   +0 :              -0.00016612731735
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000594971022
                   +0 :              -0.00003176384484
                   +1 :              -0.00000000000000
                   +2 :               0.00001486611481
             21 vec=     7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00001248912787
                2s
                   +0 :               0.00043192957402
                3s
                   +0 :              -0.00036142457005
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00064545828202
                   +1 :              -0.00013004474429
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00046071220714
                   +1 :              -0.00048885725875
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004039766032
                   +1 :               0.00010226613421
                   +2 :              -0.00007428481218
             22 vec=     7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00001248912787
                2s
                   +0 :              -0.00043192957402
                3s
                   +0 :               0.00036142457005
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00064545828202
                   +1 :               0.00013004474429
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00046071220714
                   +1 :               0.00048885725875
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004039766032
                   +1 :               0.00010226613421
                   +2 :               0.00007428481218
             23 vec=   -10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000243283308
                   +0 :              -0.00000000000000
                   +1 :              -0.00003336686180
                   +2 :               0.00000000000000
             24 vec=   -10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000243283308
                   +0 :               0.00000000000000
                   +1 :              -0.00003336686180
                   +2 :               0.00000000000000
             25 vec=    10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000243283308
                   +0 :              -0.00000000000000
                   +1 :               0.00003336686180
                   +2 :              -0.00000000000000
             26 vec=    10.719566     10.719566      0.000000   |vec|=   15.159756
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00092619703867
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00030241019738
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000243283308
                   +0 :               0.00000000000000
                   +1 :               0.00003336686180
                   +2 :              -0.00000000000000
             27 vec=    -7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :               0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :               0.00025020016292
                3p
                   -1 :              -0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :              -0.00036450700029
                3d
                   -2 :              -0.00001180453407
                   -1 :              -0.00000944869977
                   +0 :               0.00003457440121
                   +1 :               0.00008801957997
                   +2 :               0.00004778832028
             28 vec=    -7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :              -0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :              -0.00025020016292
                3p
                   -1 :               0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :               0.00036450700029
                3d
                   -2 :               0.00001180453407
                   -1 :              -0.00000944869977
                   +0 :              -0.00003457440121
                   +1 :               0.00008801957997
                   +2 :              -0.00004778832028
             29 vec=    -7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :              -0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :               0.00025020016292
                3p
                   -1 :               0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :              -0.00036450700029
                3d
                   -2 :               0.00001180453407
                   -1 :               0.00000944869977
                   +0 :               0.00003457440121
                   +1 :               0.00008801957997
                   +2 :               0.00004778832028
             30 vec=    -7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :               0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :              -0.00025020016292
                3p
                   -1 :              -0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :               0.00036450700029
                3d
                   -2 :              -0.00001180453407
                   -1 :               0.00000944869977
                   +0 :              -0.00003457440121
                   +1 :               0.00008801957997
                   +2 :              -0.00004778832028
             31 vec=     7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :               0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :              -0.00025020016292
                3p
                   -1 :              -0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :               0.00036450700029
                3d
                   -2 :               0.00001180453407
                   -1 :              -0.00000944869977
                   +0 :               0.00003457440121
                   +1 :              -0.00008801957997
                   +2 :               0.00004778832028
             32 vec=     7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :              -0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :               0.00025020016292
                3p
                   -1 :               0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :              -0.00036450700029
                3d
                   -2 :              -0.00001180453407
                   -1 :              -0.00000944869977
                   +0 :              -0.00003457440121
                   +1 :              -0.00008801957997
                   +2 :              -0.00004778832028
             33 vec=     7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00000454593855
                2s
                   +0 :              -0.00007427514519
                3s
                   +0 :               0.00022136953366
                2p
                   -1 :              -0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :              -0.00025020016292
                3p
                   -1 :               0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :               0.00036450700029
                3d
                   -2 :              -0.00001180453407
                   -1 :               0.00000944869977
                   +0 :               0.00003457440121
                   +1 :              -0.00008801957997
                   +2 :               0.00004778832028
             34 vec=     7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00000454593855
                2s
                   +0 :               0.00007427514519
                3s
                   +0 :              -0.00022136953366
                2p
                   -1 :               0.00044223444587
                   +0 :              -0.00007310416863
                   +1 :               0.00025020016292
                3p
                   -1 :              -0.00010267393806
                   +0 :              -0.00029394997035
                   +1 :              -0.00036450700029
                3d
                   -2 :               0.00001180453407
                   -1 :               0.00000944869977
                   +0 :              -0.00003457440121
                   +1 :              -0.00008801957997
                   +2 :              -0.00004778832028
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site O (  5)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.91889733832747
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.07773840397798
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :              -0.00671396473055
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00074055076113
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00138771895768
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                2p
                   +0 :              -0.00154521356281
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00104698539804
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00011077506619
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                2p
                   +0 :              -0.00154521356281
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00104698539804
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00011077506619
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :              -0.00671396473055
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00074055076113
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00138771895768
                   +2 :              -0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00096676720248
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00051730523592
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00008733428356
                   +1 :               0.00000921887560
                   +2 :              -0.00000000000000
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00096676720248
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00051730523592
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00008733428356
                   +1 :               0.00000921887560
                   +2 :              -0.00000000000000
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00096676720248
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00051730523592
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00008733428356
                   +1 :              -0.00000921887560
                   +2 :               0.00000000000000
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00096676720248
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00051730523592
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00008733428356
                   +1 :              -0.00000921887560
                   +2 :               0.00000000000000
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :               0.00083052947426
                   +0 :               0.00079591545660
                   +1 :               0.00115759129075
                3p
                   -1 :              -0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :              -0.00053530353635
                3d
                   -2 :               0.00002972942149
                   -1 :              -0.00005024025763
                   +0 :              -0.00000135031343
                   +1 :              -0.00002152700556
                   +2 :               0.00000994512531
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :              -0.00083052947426
                   +0 :               0.00079591545660
                   +1 :              -0.00115759129075
                3p
                   -1 :               0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :               0.00053530353635
                3d
                   -2 :              -0.00002972942149
                   -1 :              -0.00005024025763
                   +0 :               0.00000135031343
                   +1 :              -0.00002152700556
                   +2 :              -0.00000994512531
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :              -0.00083052947426
                   +0 :               0.00079591545660
                   +1 :               0.00115759129075
                3p
                   -1 :               0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :              -0.00053530353635
                3d
                   -2 :              -0.00002972942149
                   -1 :               0.00005024025763
                   +0 :              -0.00000135031343
                   +1 :              -0.00002152700556
                   +2 :               0.00000994512531
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :               0.00083052947426
                   +0 :               0.00079591545660
                   +1 :              -0.00115759129075
                3p
                   -1 :              -0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :               0.00053530353635
                3d
                   -2 :               0.00002972942149
                   -1 :               0.00005024025763
                   +0 :               0.00000135031343
                   +1 :              -0.00002152700556
                   +2 :              -0.00000994512531
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :               0.00083052947426
                   +0 :               0.00079591545660
                   +1 :              -0.00115759129075
                3p
                   -1 :              -0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :               0.00053530353635
                3d
                   -2 :              -0.00002972942149
                   -1 :              -0.00005024025763
                   +0 :              -0.00000135031343
                   +1 :               0.00002152700556
                   +2 :               0.00000994512531
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :              -0.00083052947426
                   +0 :               0.00079591545660
                   +1 :               0.00115759129075
                3p
                   -1 :               0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :              -0.00053530353635
                3d
                   -2 :               0.00002972942149
                   -1 :              -0.00005024025763
                   +0 :               0.00000135031343
                   +1 :               0.00002152700556
                   +2 :              -0.00000994512531
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00016223492889
                2s
                   +0 :              -0.00160667806314
                3s
                   +0 :               0.00037761744878
                2p
                   -1 :              -0.00083052947426
                   +0 :               0.00079591545660
                   +1 :              -0.00115759129075
                3p
                   -1 :               0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :               0.00053530353635
                3d
                   -2 :               0.00002972942149
                   -1 :               0.00005024025763
                   +0 :              -0.00000135031343
                   +1 :               0.00002152700556
                   +2 :               0.00000994512531
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00016223492889
                2s
                   +0 :               0.00160667806314
                3s
                   +0 :              -0.00037761744878
                2p
                   -1 :               0.00083052947426
                   +0 :               0.00079591545660
                   +1 :               0.00115759129075
                3p
                   -1 :              -0.00001630206495
                   +0 :              -0.00004756691135
                   +1 :              -0.00053530353635
                3d
                   -2 :              -0.00002972942149
                   -1 :               0.00005024025763
                   +0 :               0.00000135031343
                   +1 :               0.00002152700556
                   +2 :              -0.00000994512531
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :               0.00054944942309
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00014276360153
                   +1 :              -0.00000000000000
                3d
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003911351069
                   +2 :              -0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00106358271555
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00081228889670
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00014011228741
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00106358271555
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00081228889670
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00014011228741
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00054944942309
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00014276360153
                   +1 :              -0.00000000000000
                3d
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003911351069
                   +2 :               0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00017694302142
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000666715430
                   +1 :              -0.00000330504933
                   +2 :               0.00000000000000
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00017694302142
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000666715430
                   +1 :              -0.00000330504933
                   +2 :               0.00000000000000
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00026331123782
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003080280781
                   +0 :              -0.00000000000000
                   +1 :              -0.00000959859720
                   +2 :              -0.00000000000000
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00026331123782
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003080280781
                   +1 :              -0.00000959859720
                   +2 :               0.00000000000000
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00026331123782
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00003080280781
                   +1 :               0.00000959859720
                   +2 :              -0.00000000000000
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00064269463715
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00026331123782
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00003080280781
                   +1 :               0.00000959859720
                   +2 :               0.00000000000000
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00017694302142
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000666715430
                   +1 :               0.00000330504933
                   +2 :              -0.00000000000000
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00017694302142
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006540370525
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000666715430
                   +1 :               0.00000330504933
                   +2 :              -0.00000000000000
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :               0.00003040093364
                   +0 :               0.00028811229935
                   +1 :               0.00012228304406
                3p
                   -1 :              -0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :               0.00000297224076
                3d
                   -2 :              -0.00001599868671
                   -1 :              -0.00000225877683
                   +0 :              -0.00000884296530
                   +1 :              -0.00000851331001
                   +2 :              -0.00001060042739
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :              -0.00003040093364
                   +0 :               0.00028811229935
                   +1 :              -0.00012228304406
                3p
                   -1 :               0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :              -0.00000297224076
                3d
                   -2 :               0.00001599868671
                   -1 :              -0.00000225877683
                   +0 :               0.00000884296530
                   +1 :              -0.00000851331001
                   +2 :               0.00001060042739
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :              -0.00003040093364
                   +0 :               0.00028811229935
                   +1 :               0.00012228304406
                3p
                   -1 :               0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :               0.00000297224076
                3d
                   -2 :               0.00001599868671
                   -1 :               0.00000225877683
                   +0 :              -0.00000884296530
                   +1 :              -0.00000851331001
                   +2 :              -0.00001060042739
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :               0.00003040093364
                   +0 :               0.00028811229935
                   +1 :              -0.00012228304406
                3p
                   -1 :              -0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :              -0.00000297224076
                3d
                   -2 :              -0.00001599868671
                   -1 :               0.00000225877683
                   +0 :               0.00000884296530
                   +1 :              -0.00000851331001
                   +2 :               0.00001060042739
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :               0.00028160887632
                   +0 :               0.00032136896192
                   +1 :               0.00022774845280
                3p
                   -1 :              -0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :              -0.00007587064338
                3d
                   -2 :              -0.00001562655095
                   -1 :               0.00004695228370
                   +0 :              -0.00000966992394
                   +1 :              -0.00001699538141
                   +2 :              -0.00003042637646
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :              -0.00028160887632
                   +0 :               0.00032136896192
                   +1 :              -0.00022774845280
                3p
                   -1 :               0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :               0.00007587064338
                3d
                   -2 :               0.00001562655095
                   -1 :               0.00004695228370
                   +0 :               0.00000966992394
                   +1 :              -0.00001699538141
                   +2 :               0.00003042637646
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :              -0.00028160887632
                   +0 :               0.00032136896192
                   +1 :               0.00022774845280
                3p
                   -1 :               0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :              -0.00007587064338
                3d
                   -2 :               0.00001562655095
                   -1 :              -0.00004695228370
                   +0 :              -0.00000966992394
                   +1 :              -0.00001699538141
                   +2 :              -0.00003042637646
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :               0.00028160887632
                   +0 :               0.00032136896192
                   +1 :              -0.00022774845280
                3p
                   -1 :              -0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :               0.00007587064338
                3d
                   -2 :              -0.00001562655095
                   -1 :              -0.00004695228370
                   +0 :               0.00000966992394
                   +1 :              -0.00001699538141
                   +2 :               0.00003042637646
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :               0.00028160887632
                   +0 :               0.00032136896192
                   +1 :              -0.00022774845280
                3p
                   -1 :              -0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :               0.00007587064338
                3d
                   -2 :               0.00001562655095
                   -1 :               0.00004695228370
                   +0 :              -0.00000966992394
                   +1 :               0.00001699538141
                   +2 :              -0.00003042637646
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :              -0.00028160887632
                   +0 :               0.00032136896192
                   +1 :               0.00022774845280
                3p
                   -1 :               0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :              -0.00007587064338
                3d
                   -2 :              -0.00001562655095
                   -1 :               0.00004695228370
                   +0 :               0.00000966992394
                   +1 :               0.00001699538141
                   +2 :               0.00003042637646
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002517051323
                2s
                   +0 :              -0.00036712992917
                3s
                   +0 :               0.00018640245345
                2p
                   -1 :              -0.00028160887632
                   +0 :               0.00032136896192
                   +1 :              -0.00022774845280
                3p
                   -1 :               0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :               0.00007587064338
                3d
                   -2 :              -0.00001562655095
                   -1 :              -0.00004695228370
                   +0 :              -0.00000966992394
                   +1 :               0.00001699538141
                   +2 :              -0.00003042637646
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002517051323
                2s
                   +0 :               0.00036712992917
                3s
                   +0 :              -0.00018640245345
                2p
                   -1 :               0.00028160887632
                   +0 :               0.00032136896192
                   +1 :               0.00022774845280
                3p
                   -1 :              -0.00024026960086
                   +0 :              -0.00020608993671
                   +1 :              -0.00007587064338
                3d
                   -2 :               0.00001562655095
                   -1 :              -0.00004695228370
                   +0 :               0.00000966992394
                   +1 :               0.00001699538141
                   +2 :               0.00003042637646
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :               0.00003040093364
                   +0 :               0.00028811229935
                   +1 :              -0.00012228304406
                3p
                   -1 :              -0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :              -0.00000297224076
                3d
                   -2 :               0.00001599868671
                   -1 :              -0.00000225877683
                   +0 :              -0.00000884296530
                   +1 :               0.00000851331001
                   +2 :              -0.00001060042739
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :              -0.00003040093364
                   +0 :               0.00028811229935
                   +1 :               0.00012228304406
                3p
                   -1 :               0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :               0.00000297224076
                3d
                   -2 :              -0.00001599868671
                   -1 :              -0.00000225877683
                   +0 :               0.00000884296530
                   +1 :               0.00000851331001
                   +2 :               0.00001060042739
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002486012296
                2s
                   +0 :              -0.00033920963429
                3s
                   +0 :               0.00009171057323
                2p
                   -1 :              -0.00003040093364
                   +0 :               0.00028811229935
                   +1 :              -0.00012228304406
                3p
                   -1 :               0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :              -0.00000297224076
                3d
                   -2 :              -0.00001599868671
                   -1 :               0.00000225877683
                   +0 :              -0.00000884296530
                   +1 :               0.00000851331001
                   +2 :              -0.00001060042739
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002486012296
                2s
                   +0 :               0.00033920963429
                3s
                   +0 :              -0.00009171057323
                2p
                   -1 :               0.00003040093364
                   +0 :               0.00028811229935
                   +1 :               0.00012228304406
                3p
                   -1 :              -0.00001496123796
                   +0 :              -0.00008719601380
                   +1 :               0.00000297224076
                3d
                   -2 :               0.00001599868671
                   -1 :               0.00000225877683
                   +0 :               0.00000884296530
                   +1 :               0.00000851331001
                   +2 :               0.00001060042739
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site O (  6)  npairs=  34
              1 vec=    -3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00087273319072
                2s
                   +0 :               0.02423575539235
                3s
                   +0 :              -0.00263281966186
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.02758724619743
                   +1 :              -0.01201622512820
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00403827213242
                   +1 :               0.00113256370997
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00107979553953
                   +1 :              -0.00128659509139
                   +2 :               0.00105070692646
              2 vec=     3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00087273319072
                2s
                   +0 :               0.02423575539235
                3s
                   +0 :              -0.00263281966186
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02758724619743
                   +1 :               0.01201622512820
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00403827213242
                   +1 :              -0.00113256370997
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00107979553953
                   +1 :               0.00128659509139
                   +2 :               0.00105070692646
              3 vec=     0.000000     -3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00009626937576
                2s
                   +0 :              -0.00714068926138
                3s
                   +0 :              -0.00106093382156
                2p
                   -1 :              -0.01023827178527
                   +0 :              -0.00035871886348
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00081577014541
                   +0 :               0.00210458450975
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00075113512862
                   +0 :              -0.00074030295265
                   +1 :              -0.00000000000000
                   +2 :              -0.00007411064609
              4 vec=     0.000000      3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00009626937576
                2s
                   +0 :              -0.00714068926138
                3s
                   +0 :              -0.00106093382156
                2p
                   -1 :               0.01023827178527
                   +0 :              -0.00035871886348
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00081577014541
                   +0 :               0.00210458450975
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00075113512862
                   +0 :              -0.00074030295265
                   +1 :               0.00000000000000
                   +2 :              -0.00007411064609
              5 vec=    -3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :              -0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :              -0.00958341410359
                3p
                   -1 :              -0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :               0.00122108466635
                3d
                   -2 :               0.00020971591511
                   -1 :               0.00015596002666
                   +0 :              -0.00028185536125
                   +1 :               0.00000548806474
                   +2 :               0.00033173567007
              6 vec=    -3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :               0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :              -0.00958341410359
                3p
                   -1 :               0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :               0.00122108466635
                3d
                   -2 :              -0.00020971591511
                   -1 :              -0.00015596002666
                   +0 :              -0.00028185536125
                   +1 :               0.00000548806474
                   +2 :               0.00033173567007
              7 vec=     3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :              -0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :               0.00958341410359
                3p
                   -1 :              -0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :              -0.00122108466635
                3d
                   -2 :              -0.00020971591511
                   -1 :               0.00015596002666
                   +0 :              -0.00028185536125
                   +1 :              -0.00000548806474
                   +2 :               0.00033173567007
              8 vec=     3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00024209822526
                2s
                   +0 :               0.00928484564232
                3s
                   +0 :              -0.00045609392981
                2p
                   -1 :               0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :               0.00958341410359
                3p
                   -1 :               0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :              -0.00122108466635
                3d
                   -2 :               0.00020971591511
                   -1 :              -0.00015596002666
                   +0 :              -0.00028185536125
                   +1 :              -0.00000548806474
                   +2 :               0.00033173567007
              9 vec=    -7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :               0.00062153580170
                   +0 :               0.00138671836137
                   +1 :               0.00001795228094
                3p
                   -1 :              -0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :               0.00009798189411
                3d
                   -2 :               0.00001955562462
                   -1 :              -0.00005122518325
                   +0 :               0.00006056270599
                   +1 :              -0.00009127920306
                   +2 :              -0.00002387855051
             10 vec=    -7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :              -0.00062153580170
                   +0 :               0.00138671836137
                   +1 :               0.00001795228094
                3p
                   -1 :               0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :               0.00009798189411
                3d
                   -2 :              -0.00001955562462
                   -1 :               0.00005122518325
                   +0 :               0.00006056270599
                   +1 :              -0.00009127920306
                   +2 :              -0.00002387855051
             11 vec=     7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :               0.00062153580170
                   +0 :               0.00138671836137
                   +1 :              -0.00001795228094
                3p
                   -1 :              -0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :              -0.00009798189411
                3d
                   -2 :              -0.00001955562462
                   -1 :              -0.00005122518325
                   +0 :               0.00006056270599
                   +1 :               0.00009127920306
                   +2 :              -0.00002387855051
             12 vec=     7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00007138378603
                2s
                   +0 :              -0.00118592623741
                3s
                   +0 :               0.00037655585402
                2p
                   -1 :              -0.00062153580170
                   +0 :               0.00138671836137
                   +1 :              -0.00001795228094
                3p
                   -1 :               0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :              -0.00009798189411
                3d
                   -2 :               0.00001955562462
                   -1 :               0.00005122518325
                   +0 :               0.00006056270599
                   +1 :               0.00009127920306
                   +2 :              -0.00002387855051
             13 vec=   -10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00003848844276
                2s
                   +0 :              -0.00072347270115
                3s
                   +0 :               0.00002124781361
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00138764389382
                   +1 :              -0.00012994774523
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00023642374412
                   +1 :               0.00008418178875
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00006527038890
                   +1 :               0.00005318613529
                   +2 :              -0.00005781480413
             14 vec=    10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00003848844276
                2s
                   +0 :              -0.00072347270115
                3s
                   +0 :               0.00002124781361
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00138764389382
                   +1 :               0.00012994774523
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00023642374412
                   +1 :              -0.00008418178875
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00006527038890
                   +1 :              -0.00005318613529
                   +2 :              -0.00005781480413
             15 vec=     0.000000    -10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00001754858957
                2s
                   +0 :              -0.00030908570649
                3s
                   +0 :               0.00032575654182
                2p
                   -1 :               0.00053856221123
                   +0 :              -0.00029491996686
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00039801825994
                   +0 :               0.00006663429990
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00011529519383
                   +0 :              -0.00000201046273
                   +1 :              -0.00000000000000
                   +2 :              -0.00011055173214
             16 vec=     0.000000     10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00001754858957
                2s
                   +0 :              -0.00030908570649
                3s
                   +0 :               0.00032575654182
                2p
                   -1 :              -0.00053856221123
                   +0 :              -0.00029491996686
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00039801825994
                   +0 :               0.00006663429990
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00011529519383
                   +0 :              -0.00000201046273
                   +1 :               0.00000000000000
                   +2 :              -0.00011055173214
             17 vec=   -10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :              -0.00051419125710
                   +0 :               0.00010267058969
                   +1 :              -0.00050158127350
                3p
                   -1 :               0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :               0.00024318695458
                3d
                   -2 :              -0.00002249032849
                   -1 :              -0.00000217945841
                   +0 :               0.00001327960203
                   +1 :               0.00001167726256
                   +2 :              -0.00002519493722
             18 vec=   -10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :               0.00051419125710
                   +0 :               0.00010267058969
                   +1 :              -0.00050158127350
                3p
                   -1 :              -0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :               0.00024318695458
                3d
                   -2 :               0.00002249032849
                   -1 :               0.00000217945841
                   +0 :               0.00001327960203
                   +1 :               0.00001167726256
                   +2 :              -0.00002519493722
             19 vec=    10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :              -0.00051419125710
                   +0 :               0.00010267058969
                   +1 :               0.00050158127350
                3p
                   -1 :               0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :              -0.00024318695458
                3d
                   -2 :               0.00002249032849
                   -1 :              -0.00000217945841
                   +0 :               0.00001327960203
                   +1 :              -0.00001167726256
                   +2 :              -0.00002519493722
             20 vec=    10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001766207465
                2s
                   +0 :               0.00039691692525
                3s
                   +0 :              -0.00018325324888
                2p
                   -1 :               0.00051419125710
                   +0 :               0.00010267058969
                   +1 :               0.00050158127350
                3p
                   -1 :              -0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :              -0.00024318695458
                3d
                   -2 :              -0.00002249032849
                   -1 :               0.00000217945841
                   +0 :               0.00001327960203
                   +1 :              -0.00001167726256
                   +2 :              -0.00002519493722
             21 vec=    -7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :               0.00017733884669
                   +0 :               0.00008299248186
                   +1 :               0.00030450348164
                3p
                   -1 :               0.00009549947912
                   +0 :               0.00007245282336
                   +1 :               0.00008974884566
                3d
                   -2 :              -0.00002996991131
                   -1 :              -0.00003923870946
                   +0 :               0.00003080635461
                   +1 :              -0.00003150995257
                   +2 :              -0.00003644922519
             22 vec=    -7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :              -0.00017733884669
                   +0 :               0.00008299248186
                   +1 :               0.00030450348164
                3p
                   -1 :              -0.00009549947912
                   +0 :               0.00007245282336
                   +1 :               0.00008974884566
                3d
                   -2 :               0.00002996991131
                   -1 :               0.00003923870946
                   +0 :               0.00003080635461
                   +1 :              -0.00003150995257
                   +2 :              -0.00003644922519
             23 vec=     7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :               0.00017733884669
                   +0 :               0.00008299248186
                   +1 :              -0.00030450348164
                3p
                   -1 :               0.00009549947912
                   +0 :               0.00007245282336
                   +1 :              -0.00008974884566
                3d
                   -2 :               0.00002996991131
                   -1 :              -0.00003923870946
                   +0 :               0.00003080635461
                   +1 :               0.00003150995257
                   +2 :              -0.00003644922519
             24 vec=     7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00000286809050
                2s
                   +0 :              -0.00011557947792
                3s
                   +0 :              -0.00005606302385
                2p
                   -1 :              -0.00017733884669
                   +0 :               0.00008299248186
                   +1 :              -0.00030450348164
                3p
                   -1 :              -0.00009549947912
                   +0 :               0.00007245282336
                   +1 :              -0.00008974884566
                3d
                   -2 :              -0.00002996991131
                   -1 :               0.00003923870946
                   +0 :               0.00003080635461
                   +1 :               0.00003150995257
                   +2 :              -0.00003644922519
             25 vec=    -3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :              -0.00022787175007
                   +0 :               0.00012831596274
                   +1 :              -0.00032637431182
                3p
                   -1 :              -0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :               0.00005229401990
                3d
                   -2 :               0.00000636856708
                   -1 :               0.00001364104619
                   +0 :              -0.00000070824634
                   +1 :               0.00000904654624
                   +2 :              -0.00005466227826
             26 vec=    -3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :               0.00022787175007
                   +0 :               0.00012831596274
                   +1 :              -0.00032637431182
                3p
                   -1 :               0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :               0.00005229401990
                3d
                   -2 :              -0.00000636856708
                   -1 :              -0.00001364104619
                   +0 :              -0.00000070824634
                   +1 :               0.00000904654624
                   +2 :              -0.00005466227826
             27 vec=     3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :              -0.00022787175007
                   +0 :               0.00012831596274
                   +1 :               0.00032637431182
                3p
                   -1 :              -0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :              -0.00005229401990
                3d
                   -2 :              -0.00000636856708
                   -1 :               0.00001364104619
                   +0 :              -0.00000070824634
                   +1 :              -0.00000904654624
                   +2 :              -0.00005466227826
             28 vec=     3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000173401574
                2s
                   +0 :               0.00022361547853
                3s
                   +0 :              -0.00000748432251
                2p
                   -1 :               0.00022787175007
                   +0 :               0.00012831596274
                   +1 :               0.00032637431182
                3p
                   -1 :               0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :              -0.00005229401990
                3d
                   -2 :               0.00000636856708
                   -1 :              -0.00001364104619
                   +0 :              -0.00000070824634
                   +1 :              -0.00000904654624
                   +2 :              -0.00005466227826
             29 vec=   -14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :              -0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :               0.00020018884981
                3p
                   -1 :               0.00002202167244
                   +0 :               0.00004141629564
                   +1 :              -0.00003953706382
                3d
                   -2 :              -0.00000382871223
                   -1 :               0.00000222185616
                   +0 :              -0.00000385744712
                   +1 :               0.00000337100747
                   +2 :              -0.00001966727547
             30 vec=   -14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :               0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :               0.00020018884981
                3p
                   -1 :              -0.00002202167244
                   +0 :               0.00004141629564
                   +1 :              -0.00003953706382
                3d
                   -2 :               0.00000382871223
                   -1 :              -0.00000222185616
                   +0 :              -0.00000385744712
                   +1 :               0.00000337100747
                   +2 :              -0.00001966727547
             31 vec=    14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :              -0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :              -0.00020018884981
                3p
                   -1 :               0.00002202167244
                   +0 :               0.00004141629564
                   +1 :               0.00003953706382
                3d
                   -2 :               0.00000382871223
                   -1 :               0.00000222185616
                   +0 :              -0.00000385744712
                   +1 :              -0.00000337100747
                   +2 :              -0.00001966727547
             32 vec=    14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000414190422
                2s
                   +0 :               0.00002052649672
                3s
                   +0 :              -0.00001985918056
                2p
                   -1 :               0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :              -0.00020018884981
                3p
                   -1 :              -0.00002202167244
                   +0 :               0.00004141629564
                   +1 :               0.00003953706382
                3d
                   -2 :              -0.00000382871223
                   -1 :              -0.00000222185616
                   +0 :              -0.00000385744712
                   +1 :              -0.00000337100747
                   +2 :              -0.00001966727547
             33 vec=     0.000000     -3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000114807011
                2s
                   +0 :               0.00003020064736
                3s
                   +0 :              -0.00006980460175
                2p
                   -1 :              -0.00011066952566
                   +0 :               0.00044134097471
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00002101434869
                   +0 :              -0.00031201570475
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000974487667
                   +0 :              -0.00002183082450
                   +1 :               0.00000000000000
                   +2 :               0.00000894562632
             34 vec=     0.000000      3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000114807011
                2s
                   +0 :               0.00003020064736
                3s
                   +0 :              -0.00006980460175
                2p
                   -1 :               0.00011066952566
                   +0 :               0.00044134097471
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00002101434869
                   +0 :              -0.00031201570475
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000974487667
                   +0 :              -0.00002183082450
                   +1 :              -0.00000000000000
                   +2 :               0.00000894562632
WF             site_B          number of pairs
WF( 10)=[O 2p0]  to site O (  7)  npairs=  34
              1 vec=    -3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00087273319072
                2s
                   +0 :              -0.02423575539235
                3s
                   +0 :               0.00263281966186
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02758724619743
                   +1 :               0.01201622512820
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00403827213242
                   +1 :              -0.00113256370997
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00107979553953
                   +1 :              -0.00128659509139
                   +2 :              -0.00105070692646
              2 vec=     3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00087273319072
                2s
                   +0 :              -0.02423575539235
                3s
                   +0 :               0.00263281966186
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.02758724619743
                   +1 :              -0.01201622512820
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00403827213242
                   +1 :               0.00113256370997
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00107979553953
                   +1 :               0.00128659509139
                   +2 :              -0.00105070692646
              3 vec=     0.000000     -3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00009626937576
                2s
                   +0 :               0.00714068926138
                3s
                   +0 :               0.00106093382156
                2p
                   -1 :               0.01023827178527
                   +0 :              -0.00035871886348
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00081577014541
                   +0 :               0.00210458450975
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00075113512862
                   +0 :               0.00074030295265
                   +1 :              -0.00000000000000
                   +2 :               0.00007411064609
              4 vec=     0.000000      3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00009626937576
                2s
                   +0 :               0.00714068926138
                3s
                   +0 :               0.00106093382156
                2p
                   -1 :              -0.01023827178527
                   +0 :              -0.00035871886348
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00081577014541
                   +0 :               0.00210458450975
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00075113512862
                   +0 :               0.00074030295265
                   +1 :               0.00000000000000
                   +2 :               0.00007411064609
              5 vec=    -3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :               0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :               0.00958341410359
                3p
                   -1 :               0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :              -0.00122108466635
                3d
                   -2 :              -0.00020971591511
                   -1 :               0.00015596002666
                   +0 :               0.00028185536125
                   +1 :               0.00000548806474
                   +2 :              -0.00033173567007
              6 vec=    -3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :              -0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :               0.00958341410359
                3p
                   -1 :              -0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :              -0.00122108466635
                3d
                   -2 :               0.00020971591511
                   -1 :              -0.00015596002666
                   +0 :               0.00028185536125
                   +1 :               0.00000548806474
                   +2 :              -0.00033173567007
              7 vec=     3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :               0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :              -0.00958341410359
                3p
                   -1 :               0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :               0.00122108466635
                3d
                   -2 :               0.00020971591511
                   -1 :               0.00015596002666
                   +0 :               0.00028185536125
                   +1 :              -0.00000548806474
                   +2 :              -0.00033173567007
              8 vec=     3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00024209822526
                2s
                   +0 :              -0.00928484564232
                3s
                   +0 :               0.00045609392981
                2p
                   -1 :              -0.00132397662494
                   +0 :              -0.00113542599600
                   +1 :              -0.00958341410359
                3p
                   -1 :              -0.00004447861384
                   +0 :              -0.00030000189402
                   +1 :               0.00122108466635
                3d
                   -2 :              -0.00020971591511
                   -1 :              -0.00015596002666
                   +0 :               0.00028185536125
                   +1 :              -0.00000548806474
                   +2 :              -0.00033173567007
              9 vec=    -7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :              -0.00062153580170
                   +0 :               0.00138671836137
                   +1 :              -0.00001795228094
                3p
                   -1 :               0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :              -0.00009798189411
                3d
                   -2 :              -0.00001955562462
                   -1 :              -0.00005122518325
                   +0 :              -0.00006056270599
                   +1 :              -0.00009127920306
                   +2 :               0.00002387855051
             10 vec=    -7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :               0.00062153580170
                   +0 :               0.00138671836137
                   +1 :              -0.00001795228094
                3p
                   -1 :              -0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :              -0.00009798189411
                3d
                   -2 :               0.00001955562462
                   -1 :               0.00005122518325
                   +0 :              -0.00006056270599
                   +1 :              -0.00009127920306
                   +2 :               0.00002387855051
             11 vec=     7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :              -0.00062153580170
                   +0 :               0.00138671836137
                   +1 :               0.00001795228094
                3p
                   -1 :               0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :               0.00009798189411
                3d
                   -2 :               0.00001955562462
                   -1 :              -0.00005122518325
                   +0 :              -0.00006056270599
                   +1 :               0.00009127920306
                   +2 :               0.00002387855051
             12 vec=     7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00007138378603
                2s
                   +0 :               0.00118592623741
                3s
                   +0 :              -0.00037655585402
                2p
                   -1 :               0.00062153580170
                   +0 :               0.00138671836137
                   +1 :               0.00001795228094
                3p
                   -1 :              -0.00012837569864
                   +0 :              -0.00033527767205
                   +1 :               0.00009798189411
                3d
                   -2 :              -0.00001955562462
                   -1 :               0.00005122518325
                   +0 :              -0.00006056270599
                   +1 :               0.00009127920306
                   +2 :               0.00002387855051
             13 vec=   -10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00003848844276
                2s
                   +0 :               0.00072347270115
                3s
                   +0 :              -0.00002124781361
                2p
                   +0 :              -0.00138764389382
                   +1 :               0.00012994774523
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00023642374412
                   +1 :              -0.00008418178875
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00006527038890
                   +1 :               0.00005318613529
                   +2 :               0.00005781480413
             14 vec=    10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00003848844276
                2s
                   +0 :               0.00072347270115
                3s
                   +0 :              -0.00002124781361
                2p
                   +0 :              -0.00138764389382
                   +1 :              -0.00012994774523
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00023642374412
                   +1 :               0.00008418178875
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00006527038890
                   +1 :              -0.00005318613529
                   +2 :               0.00005781480413
             15 vec=     0.000000    -10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00001754858957
                2s
                   +0 :               0.00030908570649
                3s
                   +0 :              -0.00032575654182
                2p
                   -1 :              -0.00053856221123
                   +0 :              -0.00029491996686
                3p
                   -1 :               0.00039801825994
                   +0 :               0.00006663429990
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00011529519383
                   +0 :               0.00000201046273
                   +1 :              -0.00000000000000
                   +2 :               0.00011055173214
             16 vec=     0.000000     10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00001754858957
                2s
                   +0 :               0.00030908570649
                3s
                   +0 :              -0.00032575654182
                2p
                   -1 :               0.00053856221123
                   +0 :              -0.00029491996686
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00039801825994
                   +0 :               0.00006663429990
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00011529519383
                   +0 :               0.00000201046273
                   +1 :               0.00000000000000
                   +2 :               0.00011055173214
             17 vec=   -10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :               0.00051419125710
                   +0 :               0.00010267058969
                   +1 :               0.00050158127350
                3p
                   -1 :              -0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :              -0.00024318695458
                3d
                   -2 :               0.00002249032849
                   -1 :              -0.00000217945841
                   +0 :              -0.00001327960203
                   +1 :               0.00001167726256
                   +2 :               0.00002519493722
             18 vec=   -10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :              -0.00051419125710
                   +0 :               0.00010267058969
                   +1 :               0.00050158127350
                3p
                   -1 :               0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :              -0.00024318695458
                3d
                   -2 :              -0.00002249032849
                   -1 :               0.00000217945841
                   +0 :              -0.00001327960203
                   +1 :               0.00001167726256
                   +2 :               0.00002519493722
             19 vec=    10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :               0.00051419125710
                   +0 :               0.00010267058969
                   +1 :              -0.00050158127350
                3p
                   -1 :              -0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :               0.00024318695458
                3d
                   -2 :              -0.00002249032849
                   -1 :              -0.00000217945841
                   +0 :              -0.00001327960203
                   +1 :              -0.00001167726256
                   +2 :               0.00002519493722
             20 vec=    10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001766207465
                2s
                   +0 :              -0.00039691692525
                3s
                   +0 :               0.00018325324888
                2p
                   -1 :              -0.00051419125710
                   +0 :               0.00010267058969
                   +1 :              -0.00050158127350
                3p
                   -1 :               0.00023728596463
                   +0 :              -0.00002786343343
                   +1 :               0.00024318695458
                3d
                   -2 :               0.00002249032849
                   -1 :               0.00000217945841
                   +0 :              -0.00001327960203
                   +1 :              -0.00001167726256
                   +2 :               0.00002519493722
             21 vec=    -7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :              -0.00017733884669
                   +0 :               0.00008299248186
                   +1 :              -0.00030450348164
                3p
                   -1 :              -0.00009549947912
                   +0 :               0.00007245282336
                   +1 :              -0.00008974884566
                3d
                   -2 :               0.00002996991131
                   -1 :              -0.00003923870946
                   +0 :              -0.00003080635461
                   +1 :              -0.00003150995257
                   +2 :               0.00003644922519
             22 vec=    -7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :               0.00017733884669
                   +0 :               0.00008299248186
                   +1 :              -0.00030450348164
                3p
                   -1 :               0.00009549947912
                   +0 :               0.00007245282336
                   +1 :              -0.00008974884566
                3d
                   -2 :              -0.00002996991131
                   -1 :               0.00003923870946
                   +0 :              -0.00003080635461
                   +1 :              -0.00003150995257
                   +2 :               0.00003644922519
             23 vec=     7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :              -0.00017733884669
                   +0 :               0.00008299248186
                   +1 :               0.00030450348164
                3p
                   -1 :              -0.00009549947912
                   +0 :               0.00007245282336
                   +1 :               0.00008974884566
                3d
                   -2 :              -0.00002996991131
                   -1 :              -0.00003923870946
                   +0 :              -0.00003080635461
                   +1 :               0.00003150995257
                   +2 :               0.00003644922519
             24 vec=     7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00000286809050
                2s
                   +0 :               0.00011557947792
                3s
                   +0 :               0.00005606302385
                2p
                   -1 :               0.00017733884669
                   +0 :               0.00008299248186
                   +1 :               0.00030450348164
                3p
                   -1 :               0.00009549947912
                   +0 :               0.00007245282336
                   +1 :               0.00008974884566
                3d
                   -2 :               0.00002996991131
                   -1 :               0.00003923870946
                   +0 :              -0.00003080635461
                   +1 :               0.00003150995257
                   +2 :               0.00003644922519
             25 vec=    -3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :               0.00022787175007
                   +0 :               0.00012831596274
                   +1 :               0.00032637431182
                3p
                   -1 :               0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :              -0.00005229401990
                3d
                   -2 :              -0.00000636856708
                   -1 :               0.00001364104619
                   +0 :               0.00000070824634
                   +1 :               0.00000904654624
                   +2 :               0.00005466227826
             26 vec=    -3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :              -0.00022787175007
                   +0 :               0.00012831596274
                   +1 :               0.00032637431182
                3p
                   -1 :              -0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :              -0.00005229401990
                3d
                   -2 :               0.00000636856708
                   -1 :              -0.00001364104619
                   +0 :               0.00000070824634
                   +1 :               0.00000904654624
                   +2 :               0.00005466227826
             27 vec=     3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :               0.00022787175007
                   +0 :               0.00012831596274
                   +1 :              -0.00032637431182
                3p
                   -1 :               0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :               0.00005229401990
                3d
                   -2 :               0.00000636856708
                   -1 :               0.00001364104619
                   +0 :               0.00000070824634
                   +1 :              -0.00000904654624
                   +2 :               0.00005466227826
             28 vec=     3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000173401574
                2s
                   +0 :              -0.00022361547853
                3s
                   +0 :               0.00000748432251
                2p
                   -1 :              -0.00022787175007
                   +0 :               0.00012831596274
                   +1 :              -0.00032637431182
                3p
                   -1 :              -0.00004926866650
                   +0 :              -0.00015038046775
                   +1 :               0.00005229401990
                3d
                   -2 :              -0.00000636856708
                   -1 :              -0.00001364104619
                   +0 :               0.00000070824634
                   +1 :              -0.00000904654624
                   +2 :               0.00005466227826
             29 vec=   -14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :               0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :              -0.00020018884981
                3p
                   -1 :              -0.00002202167244
                   +0 :               0.00004141629564
                   +1 :               0.00003953706382
                3d
                   -2 :               0.00000382871223
                   -1 :               0.00000222185616
                   +0 :               0.00000385744712
                   +1 :               0.00000337100747
                   +2 :               0.00001966727547
             30 vec=   -14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :              -0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :              -0.00020018884981
                3p
                   -1 :               0.00002202167244
                   +0 :               0.00004141629564
                   +1 :               0.00003953706382
                3d
                   -2 :              -0.00000382871223
                   -1 :              -0.00000222185616
                   +0 :               0.00000385744712
                   +1 :               0.00000337100747
                   +2 :               0.00001966727547
             31 vec=    14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :               0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :               0.00020018884981
                3p
                   -1 :              -0.00002202167244
                   +0 :               0.00004141629564
                   +1 :              -0.00003953706382
                3d
                   -2 :              -0.00000382871223
                   -1 :               0.00000222185616
                   +0 :               0.00000385744712
                   +1 :              -0.00000337100747
                   +2 :               0.00001966727547
             32 vec=    14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000414190422
                2s
                   +0 :              -0.00002052649672
                3s
                   +0 :               0.00001985918056
                2p
                   -1 :              -0.00006949980839
                   +0 :              -0.00007727534302
                   +1 :               0.00020018884981
                3p
                   -1 :               0.00002202167244
                   +0 :               0.00004141629564
                   +1 :              -0.00003953706382
                3d
                   -2 :               0.00000382871223
                   -1 :              -0.00000222185616
                   +0 :               0.00000385744712
                   +1 :              -0.00000337100747
                   +2 :               0.00001966727547
             33 vec=     0.000000     -3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000114807011
                2s
                   +0 :              -0.00003020064736
                3s
                   +0 :               0.00006980460175
                2p
                   -1 :               0.00011066952566
                   +0 :               0.00044134097471
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00002101434869
                   +0 :              -0.00031201570475
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000974487667
                   +0 :               0.00002183082450
                   +1 :               0.00000000000000
                   +2 :              -0.00000894562632
             34 vec=     0.000000      3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000114807011
                2s
                   +0 :              -0.00003020064736
                3s
                   +0 :               0.00006980460175
                2p
                   -1 :              -0.00011066952566
                   +0 :               0.00044134097471
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00002101434869
                   +0 :              -0.00031201570475
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000974487667
                   +0 :               0.00002183082450
                   +1 :              -0.00000000000000
                   +2 :              -0.00000894562632
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site La(  1)  npairs=  38
              1 vec=     0.000000     -3.573189     -3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.02910328511418
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.01667693088444
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.01535145963283
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00255111465611
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00178926394110
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00163451824683
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.01468034852992
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00386287948103
                   +2 :              -0.00000000000000
                   +3 :              -0.01379200407384
              2 vec=     0.000000      3.573189     -3.505098   |vec|=    5.005336
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.02910328511418
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.01667693088444
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.01535145963283
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00255111465611
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00178926394110
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00163451824683
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.01468034852992
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00386287948103
                   +2 :               0.00000000000000
                   +3 :              -0.01379200407384
              3 vec=    -7.146377     -3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :               0.00171075535704
                   +0 :               0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :               0.00542152990548
                   +0 :              -0.00255305956999
                   +1 :              -0.00404933359222
                   +2 :               0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :              -0.00027958929322
                   +0 :               0.00022046193208
                   +1 :               0.00037202348397
                   +2 :              -0.00046124638643
                6p
                   -1 :              -0.00018974134671
                   +0 :              -0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :               0.00476558286030
                   -2 :               0.00265408536333
                   -1 :              -0.00009224455394
                   +0 :              -0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :              -0.00084119807951
                   +3 :               0.00230623017230
              4 vec=    -7.146377      3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :              -0.00171075535704
                   +0 :               0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :              -0.00542152990548
                   +0 :              -0.00255305956999
                   +1 :              -0.00404933359222
                   +2 :               0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :               0.00027958929322
                   +0 :               0.00022046193208
                   +1 :               0.00037202348397
                   +2 :              -0.00046124638643
                6p
                   -1 :               0.00018974134671
                   +0 :              -0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :              -0.00476558286030
                   -2 :              -0.00265408536333
                   -1 :               0.00009224455394
                   +0 :              -0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :              -0.00084119807951
                   +3 :               0.00230623017230
              5 vec=     7.146377     -3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :              -0.00171075535704
                   +0 :              -0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :              -0.00542152990548
                   +0 :               0.00255305956999
                   +1 :              -0.00404933359222
                   +2 :              -0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :               0.00027958929322
                   +0 :              -0.00022046193208
                   +1 :               0.00037202348397
                   +2 :               0.00046124638643
                6p
                   -1 :               0.00018974134671
                   +0 :               0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :              -0.00476558286030
                   -2 :               0.00265408536333
                   -1 :               0.00009224455394
                   +0 :               0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :               0.00084119807951
                   +3 :               0.00230623017230
              6 vec=     7.146377      3.573189     -3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :               0.00171075535704
                   +0 :              -0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :               0.00542152990548
                   +0 :               0.00255305956999
                   +1 :              -0.00404933359222
                   +2 :              -0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :              -0.00027958929322
                   +0 :              -0.00022046193208
                   +1 :               0.00037202348397
                   +2 :               0.00046124638643
                6p
                   -1 :              -0.00018974134671
                   +0 :               0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :               0.00476558286030
                   -2 :              -0.00265408536333
                   -1 :              -0.00009224455394
                   +0 :               0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :               0.00084119807951
                   +3 :               0.00230623017230
              7 vec=    -3.573189      0.000000      9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00208865944991
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00033590607366
                   +1 :               0.00094322479096
                6s
                   +0 :               0.00141032654848
                7s
                   +0 :               0.00017069621513
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00897293907408
                   +1 :              -0.00406455066887
                   +2 :              -0.00008528570472
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00060024157340
                   +1 :               0.00075572409552
                   +2 :               0.00026880251410
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00003967430564
                   +1 :               0.00025520968585
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00558693584323
                   +1 :               0.00250578971144
                   +2 :              -0.00003864114260
                   +3 :               0.00009876638000
              8 vec=     3.573189      0.000000      9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00208865944991
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00033590607366
                   +1 :               0.00094322479096
                6s
                   +0 :              -0.00141032654848
                7s
                   +0 :              -0.00017069621513
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00897293907408
                   +1 :              -0.00406455066887
                   +2 :               0.00008528570472
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00060024157340
                   +1 :               0.00075572409552
                   +2 :              -0.00026880251410
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00003967430564
                   +1 :               0.00025520968585
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00558693584323
                   +1 :               0.00250578971144
                   +2 :               0.00003864114260
                   +3 :               0.00009876638000
              9 vec=     0.000000    -10.719566     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00029078070305
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00122700256175
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00192705160065
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00020114507128
                   -1 :              -0.00000000000000
                   +1 :               0.00025222863514
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003614197481
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00143093279932
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00021984671405
                   +2 :               0.00000000000000
                   +3 :               0.00195443835939
             10 vec=     0.000000     10.719566     -3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00029078070305
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00122700256175
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00192705160065
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00020114507128
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00025222863514
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003614197481
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00143093279932
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00021984671405
                   +2 :              -0.00000000000000
                   +3 :               0.00195443835939
             11 vec=    -3.573189     -7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :              -0.00009768541481
                   +0 :               0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :              -0.00051877702655
                   +0 :              -0.00118935182401
                   +1 :               0.00067387197714
                   +2 :               0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :               0.00019280032792
                   +0 :              -0.00014273884556
                   +1 :              -0.00003207569636
                   +2 :              -0.00003219396906
                6p
                   -1 :               0.00005387386161
                   +0 :              -0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :              -0.00027840592503
                   -2 :               0.00014055441177
                   -1 :               0.00050828460201
                   +0 :               0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :              -0.00020797975866
                   +3 :              -0.00009308017537
             12 vec=    -3.573189      7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :               0.00009768541481
                   +0 :               0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :               0.00051877702655
                   +0 :              -0.00118935182401
                   +1 :               0.00067387197714
                   +2 :               0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :              -0.00019280032792
                   +0 :              -0.00014273884556
                   +1 :              -0.00003207569636
                   +2 :              -0.00003219396906
                6p
                   -1 :              -0.00005387386161
                   +0 :              -0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :               0.00027840592503
                   -2 :              -0.00014055441177
                   -1 :              -0.00050828460201
                   +0 :               0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :              -0.00020797975866
                   +3 :              -0.00009308017537
             13 vec=     3.573189     -7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :               0.00009768541481
                   +0 :              -0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :               0.00051877702655
                   +0 :               0.00118935182401
                   +1 :               0.00067387197714
                   +2 :              -0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :              -0.00019280032792
                   +0 :               0.00014273884556
                   +1 :              -0.00003207569636
                   +2 :               0.00003219396906
                6p
                   -1 :              -0.00005387386161
                   +0 :               0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :               0.00027840592503
                   -2 :               0.00014055441177
                   -1 :              -0.00050828460201
                   +0 :              -0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :               0.00020797975866
                   +3 :              -0.00009308017537
             14 vec=     3.573189      7.146377      9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :              -0.00009768541481
                   +0 :              -0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :              -0.00051877702655
                   +0 :               0.00118935182401
                   +1 :               0.00067387197714
                   +2 :              -0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :               0.00019280032792
                   +0 :               0.00014273884556
                   +1 :              -0.00003207569636
                   +2 :               0.00003219396906
                6p
                   -1 :               0.00005387386161
                   +0 :               0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :              -0.00027840592503
                   -2 :              -0.00014055441177
                   -1 :               0.00050828460201
                   +0 :              -0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :               0.00020797975866
                   +3 :              -0.00009308017537
             15 vec=    -7.146377    -10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :              -0.00041918100902
                   +0 :              -0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :              -0.00199822969099
                   +0 :              -0.00076017000323
                   +1 :               0.00155724003845
                   +2 :              -0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :               0.00015305489981
                   +0 :               0.00007475620987
                   +1 :              -0.00016191293557
                   +2 :               0.00013850401706
                6p
                   -1 :              -0.00002975615153
                   +0 :              -0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :              -0.00067551369121
                   -2 :               0.00064463080895
                   -1 :              -0.00111391782583
                   +0 :              -0.00020318662879
                   +1 :               0.00018920888062
                   +2 :               0.00084545596590
                   +3 :              -0.00145695696713
             16 vec=    -7.146377     10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :               0.00041918100902
                   +0 :              -0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :               0.00199822969099
                   +0 :              -0.00076017000323
                   +1 :               0.00155724003845
                   +2 :              -0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :              -0.00015305489981
                   +0 :               0.00007475620987
                   +1 :              -0.00016191293557
                   +2 :               0.00013850401706
                6p
                   -1 :               0.00002975615153
                   +0 :              -0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :               0.00067551369121
                   -2 :              -0.00064463080895
                   -1 :               0.00111391782583
                   +0 :              -0.00020318662879
                   +1 :               0.00018920888062
                   +2 :               0.00084545596590
                   +3 :              -0.00145695696713
             17 vec=     7.146377    -10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :               0.00041918100902
                   +0 :               0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :               0.00199822969099
                   +0 :               0.00076017000323
                   +1 :               0.00155724003845
                   +2 :               0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :              -0.00015305489981
                   +0 :              -0.00007475620987
                   +1 :              -0.00016191293557
                   +2 :              -0.00013850401706
                6p
                   -1 :               0.00002975615153
                   +0 :               0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :               0.00067551369121
                   -2 :               0.00064463080895
                   -1 :               0.00111391782583
                   +0 :               0.00020318662879
                   +1 :               0.00018920888062
                   +2 :              -0.00084545596590
                   +3 :              -0.00145695696713
             18 vec=     7.146377     10.719566     -3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :              -0.00041918100902
                   +0 :               0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :              -0.00199822969099
                   +0 :               0.00076017000323
                   +1 :               0.00155724003845
                   +2 :               0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :               0.00015305489981
                   +0 :              -0.00007475620987
                   +1 :              -0.00016191293557
                   +2 :              -0.00013850401706
                6p
                   -1 :              -0.00002975615153
                   +0 :               0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :              -0.00067551369121
                   -2 :              -0.00064463080895
                   -1 :              -0.00111391782583
                   +0 :               0.00020318662879
                   +1 :               0.00018920888062
                   +2 :              -0.00084545596590
                   +3 :              -0.00145695696713
             19 vec=   -10.719566      0.000000      9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00029280485102
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00002615493671
                   +1 :               0.00002981718924
                6s
                   +0 :               0.00061776943241
                7s
                   +0 :              -0.00012066387972
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00019024016321
                   +1 :               0.00094202349570
                   +2 :               0.00029326405122
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00019340161072
                   +1 :              -0.00049034551397
                   +2 :              -0.00001404610750
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00022997350150
                   +1 :              -0.00011702900638
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00077904460353
                   +1 :              -0.00070387358391
                   +2 :              -0.00007429165213
                   +3 :               0.00005106675608
             20 vec=    10.719566      0.000000      9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00029280485102
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00002615493671
                   +1 :               0.00002981718924
                6s
                   +0 :              -0.00061776943241
                7s
                   +0 :               0.00012066387972
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00019024016321
                   +1 :               0.00094202349570
                   +2 :              -0.00029326405122
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00019340161072
                   +1 :              -0.00049034551397
                   +2 :               0.00001404610750
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00022997350150
                   +1 :              -0.00011702900638
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00077904460353
                   +1 :              -0.00070387358391
                   +2 :               0.00007429165213
                   +3 :               0.00005106675608
             21 vec=   -14.292755     -3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :              -0.00022723172330
                   +0 :               0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :              -0.00078921673202
                   +0 :               0.00021067715036
                   +1 :               0.00065517676385
                   +2 :              -0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :               0.00009160562892
                   +0 :              -0.00003445163865
                   +1 :              -0.00008308779613
                   +2 :               0.00009627836521
                6p
                   -1 :              -0.00000633798654
                   +0 :               0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :              -0.00095421107667
                   -2 :              -0.00059805198333
                   -1 :               0.00010838124230
                   +0 :              -0.00002675905199
                   +1 :               0.00038235744094
                   +2 :               0.00030428260452
                   +3 :              -0.00022371777450
             22 vec=   -14.292755      3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :               0.00022723172330
                   +0 :               0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :               0.00078921673202
                   +0 :               0.00021067715036
                   +1 :               0.00065517676385
                   +2 :              -0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :              -0.00009160562892
                   +0 :              -0.00003445163865
                   +1 :              -0.00008308779613
                   +2 :               0.00009627836521
                6p
                   -1 :               0.00000633798654
                   +0 :               0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :               0.00095421107667
                   -2 :               0.00059805198333
                   -1 :              -0.00010838124230
                   +0 :              -0.00002675905199
                   +1 :               0.00038235744094
                   +2 :               0.00030428260452
                   +3 :              -0.00022371777450
             23 vec=    14.292755     -3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :               0.00022723172330
                   +0 :              -0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :               0.00078921673202
                   +0 :              -0.00021067715036
                   +1 :               0.00065517676385
                   +2 :               0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :              -0.00009160562892
                   +0 :               0.00003445163865
                   +1 :              -0.00008308779613
                   +2 :              -0.00009627836521
                6p
                   -1 :               0.00000633798654
                   +0 :              -0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :               0.00095421107667
                   -2 :              -0.00059805198333
                   -1 :              -0.00010838124230
                   +0 :               0.00002675905199
                   +1 :               0.00038235744094
                   +2 :              -0.00030428260452
                   +3 :              -0.00022371777450
             24 vec=    14.292755      3.573189     -3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :              -0.00022723172330
                   +0 :              -0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :              -0.00078921673202
                   +0 :              -0.00021067715036
                   +1 :               0.00065517676385
                   +2 :               0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :               0.00009160562892
                   +0 :               0.00003445163865
                   +1 :              -0.00008308779613
                   +2 :              -0.00009627836521
                6p
                   -1 :              -0.00000633798654
                   +0 :              -0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :              -0.00095421107667
                   -2 :               0.00059805198333
                   -1 :               0.00010838124230
                   +0 :               0.00002675905199
                   +1 :               0.00038235744094
                   +2 :              -0.00030428260452
                   +3 :              -0.00022371777450
             25 vec=   -10.719566     -7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :               0.00000905070089
                   +0 :               0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :               0.00027062426908
                   +0 :              -0.00000955905133
                   +1 :              -0.00038654694159
                   +2 :               0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :              -0.00008674691493
                   +0 :              -0.00005135506831
                   +1 :               0.00007141483418
                   +2 :              -0.00006208095548
                6p
                   -1 :              -0.00010063153111
                   +0 :               0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :              -0.00001724381074
                   -2 :              -0.00002047270774
                   -1 :              -0.00006485820026
                   +0 :               0.00023377928073
                   +1 :               0.00036112583398
                   +2 :              -0.00001423696152
                   +3 :               0.00023009602179
             26 vec=   -10.719566      7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :              -0.00000905070089
                   +0 :               0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :              -0.00027062426908
                   +0 :              -0.00000955905133
                   +1 :              -0.00038654694159
                   +2 :               0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :               0.00008674691493
                   +0 :              -0.00005135506831
                   +1 :               0.00007141483418
                   +2 :              -0.00006208095548
                6p
                   -1 :               0.00010063153111
                   +0 :               0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :               0.00001724381074
                   -2 :               0.00002047270774
                   -1 :               0.00006485820026
                   +0 :               0.00023377928073
                   +1 :               0.00036112583398
                   +2 :              -0.00001423696152
                   +3 :               0.00023009602179
             27 vec=    10.719566     -7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :              -0.00000905070089
                   +0 :              -0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :              -0.00027062426908
                   +0 :               0.00000955905133
                   +1 :              -0.00038654694159
                   +2 :              -0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :               0.00008674691493
                   +0 :               0.00005135506831
                   +1 :               0.00007141483418
                   +2 :               0.00006208095548
                6p
                   -1 :               0.00010063153111
                   +0 :              -0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :               0.00001724381074
                   -2 :              -0.00002047270774
                   -1 :               0.00006485820026
                   +0 :              -0.00023377928073
                   +1 :               0.00036112583398
                   +2 :               0.00001423696152
                   +3 :               0.00023009602179
             28 vec=    10.719566      7.146377      9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :               0.00000905070089
                   +0 :              -0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :               0.00027062426908
                   +0 :               0.00000955905133
                   +1 :              -0.00038654694159
                   +2 :              -0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :              -0.00008674691493
                   +0 :               0.00005135506831
                   +1 :               0.00007141483418
                   +2 :               0.00006208095548
                6p
                   -1 :              -0.00010063153111
                   +0 :              -0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :              -0.00001724381074
                   -2 :               0.00002047270774
                   -1 :              -0.00006485820026
                   +0 :              -0.00023377928073
                   +1 :               0.00036112583398
                   +2 :               0.00001423696152
                   +3 :               0.00023009602179
             29 vec=    -3.573189      0.000000    -16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00025355336011
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00012239290754
                   +1 :               0.00018559889829
                6s
                   +0 :               0.00031895795039
                7s
                   +0 :              -0.00003645610577
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00071682189522
                   +1 :               0.00020490612010
                   +2 :               0.00042702880625
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00025471032628
                   +1 :               0.00012843725610
                   +2 :               0.00000459591913
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00009949594882
                   +1 :              -0.00006142105585
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00035652806543
                   +1 :               0.00016621649351
                   +2 :               0.00037870669801
                   +3 :               0.00005752086671
             30 vec=     3.573189      0.000000    -16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00025355336011
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012239290754
                   +1 :               0.00018559889829
                6s
                   +0 :              -0.00031895795039
                7s
                   +0 :               0.00003645610577
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00071682189522
                   +1 :               0.00020490612010
                   +2 :              -0.00042702880625
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00025471032628
                   +1 :               0.00012843725610
                   +2 :              -0.00000459591913
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00009949594882
                   +1 :              -0.00006142105585
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00035652806543
                   +1 :               0.00016621649351
                   +2 :              -0.00037870669801
                   +3 :               0.00005752086671
             31 vec=    -3.573189    -14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :               0.00007455106913
                   +0 :              -0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :               0.00032491436900
                   +0 :              -0.00014197210610
                   +1 :              -0.00002326772183
                   +2 :               0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :              -0.00011053472557
                   +0 :               0.00006603216631
                   +1 :               0.00001788447330
                   +2 :              -0.00002149166634
                6p
                   -1 :              -0.00003003971019
                   +0 :               0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :               0.00009115293853
                   -2 :               0.00000645934008
                   -1 :              -0.00028858726985
                   +0 :              -0.00025983030503
                   +1 :               0.00000419748708
                   +2 :              -0.00006318603251
                   +3 :              -0.00002035837116
             32 vec=    -3.573189     14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :              -0.00007455106913
                   +0 :              -0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :              -0.00032491436900
                   +0 :              -0.00014197210610
                   +1 :              -0.00002326772183
                   +2 :               0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :               0.00011053472557
                   +0 :               0.00006603216631
                   +1 :               0.00001788447330
                   +2 :              -0.00002149166634
                6p
                   -1 :               0.00003003971019
                   +0 :               0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :              -0.00009115293853
                   -2 :              -0.00000645934008
                   -1 :               0.00028858726985
                   +0 :              -0.00025983030503
                   +1 :               0.00000419748708
                   +2 :              -0.00006318603251
                   +3 :              -0.00002035837116
             33 vec=     3.573189    -14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :              -0.00007455106913
                   +0 :               0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :              -0.00032491436900
                   +0 :               0.00014197210610
                   +1 :              -0.00002326772183
                   +2 :              -0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :               0.00011053472557
                   +0 :              -0.00006603216631
                   +1 :               0.00001788447330
                   +2 :               0.00002149166634
                6p
                   -1 :               0.00003003971019
                   +0 :              -0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :              -0.00009115293853
                   -2 :               0.00000645934008
                   -1 :               0.00028858726985
                   +0 :               0.00025983030503
                   +1 :               0.00000419748708
                   +2 :               0.00006318603251
                   +3 :              -0.00002035837116
             34 vec=     3.573189     14.292755      9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :               0.00007455106913
                   +0 :               0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :               0.00032491436900
                   +0 :               0.00014197210610
                   +1 :              -0.00002326772183
                   +2 :              -0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :              -0.00011053472557
                   +0 :              -0.00006603216631
                   +1 :               0.00001788447330
                   +2 :               0.00002149166634
                6p
                   -1 :              -0.00003003971019
                   +0 :              -0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :               0.00009115293853
                   -2 :              -0.00000645934008
                   -1 :              -0.00028858726985
                   +0 :               0.00025983030503
                   +1 :               0.00000419748708
                   +2 :               0.00006318603251
                   +3 :              -0.00002035837116
             35 vec=    -3.573189     -7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :              -0.00011578732939
                   +0 :              -0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :              -0.00047730775456
                   +0 :              -0.00032185221458
                   +1 :               0.00013665481896
                   +2 :               0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :               0.00004347416604
                   +0 :               0.00008484364360
                   +1 :              -0.00001850724539
                   +2 :              -0.00002874584305
                6p
                   -1 :              -0.00003287012251
                   +0 :              -0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :               0.00010941987742
                   -2 :              -0.00003682076764
                   -1 :              -0.00016543915821
                   +0 :              -0.00014548473456
                   +1 :               0.00005859668802
                   +2 :               0.00018350785623
                   +3 :               0.00003856041469
             36 vec=    -3.573189      7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :               0.00011578732939
                   +0 :              -0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :               0.00047730775456
                   +0 :              -0.00032185221458
                   +1 :               0.00013665481896
                   +2 :               0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :              -0.00004347416604
                   +0 :               0.00008484364360
                   +1 :              -0.00001850724539
                   +2 :              -0.00002874584305
                6p
                   -1 :               0.00003287012251
                   +0 :              -0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :              -0.00010941987742
                   -2 :               0.00003682076764
                   -1 :               0.00016543915821
                   +0 :              -0.00014548473456
                   +1 :               0.00005859668802
                   +2 :               0.00018350785623
                   +3 :               0.00003856041469
             37 vec=     3.573189     -7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :               0.00011578732939
                   +0 :               0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :               0.00047730775456
                   +0 :               0.00032185221458
                   +1 :               0.00013665481896
                   +2 :              -0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :              -0.00004347416604
                   +0 :              -0.00008484364360
                   +1 :              -0.00001850724539
                   +2 :               0.00002874584305
                6p
                   -1 :               0.00003287012251
                   +0 :               0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :              -0.00010941987742
                   -2 :              -0.00003682076764
                   -1 :               0.00016543915821
                   +0 :               0.00014548473456
                   +1 :               0.00005859668802
                   +2 :              -0.00018350785623
                   +3 :               0.00003856041469
             38 vec=     3.573189      7.146377    -16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :              -0.00011578732939
                   +0 :               0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :              -0.00047730775456
                   +0 :               0.00032185221458
                   +1 :               0.00013665481896
                   +2 :              -0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :               0.00004347416604
                   +0 :              -0.00008484364360
                   +1 :              -0.00001850724539
                   +2 :               0.00002874584305
                6p
                   -1 :              -0.00003287012251
                   +0 :               0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :               0.00010941987742
                   -2 :               0.00003682076764
                   -1 :              -0.00016543915821
                   +0 :               0.00014548473456
                   +1 :               0.00005859668802
                   +2 :              -0.00018350785623
                   +3 :               0.00003856041469
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site La(  2)  npairs=  38
              1 vec=     0.000000     -3.573189      3.505098   |vec|=    5.005336
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.02910328511418
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.01667693088444
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.01535145963283
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00255111465611
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00178926394110
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00163451824683
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.01468034852992
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00386287948103
                   +2 :               0.00000000000000
                   +3 :              -0.01379200407384
              2 vec=     0.000000      3.573189      3.505098   |vec|=    5.005336
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.02910328511418
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.01667693088444
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.01535145963283
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00255111465611
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00178926394110
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00163451824683
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.01468034852992
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00386287948103
                   +2 :              -0.00000000000000
                   +3 :              -0.01379200407384
              3 vec=    -7.146377     -3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :               0.00171075535704
                   +0 :              -0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :              -0.00542152990548
                   +0 :              -0.00255305956999
                   +1 :               0.00404933359222
                   +2 :               0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :               0.00027958929322
                   +0 :               0.00022046193208
                   +1 :              -0.00037202348397
                   +2 :              -0.00046124638643
                6p
                   -1 :              -0.00018974134671
                   +0 :               0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :               0.00476558286030
                   -2 :              -0.00265408536333
                   -1 :              -0.00009224455394
                   +0 :               0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :               0.00084119807951
                   +3 :               0.00230623017230
              4 vec=    -7.146377      3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :              -0.00097978484162
                5p
                   -1 :              -0.00171075535704
                   +0 :              -0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :               0.00276299904418
                7s
                   +0 :              -0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :               0.00542152990548
                   +0 :              -0.00255305956999
                   +1 :               0.00404933359222
                   +2 :               0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :              -0.00027958929322
                   +0 :               0.00022046193208
                   +1 :              -0.00037202348397
                   +2 :              -0.00046124638643
                6p
                   -1 :               0.00018974134671
                   +0 :               0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :              -0.00476558286030
                   -2 :               0.00265408536333
                   -1 :               0.00009224455394
                   +0 :               0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :               0.00084119807951
                   +3 :               0.00230623017230
              5 vec=     7.146377     -3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :              -0.00171075535704
                   +0 :               0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :               0.00164780838907
                   -1 :               0.00542152990548
                   +0 :               0.00255305956999
                   +1 :               0.00404933359222
                   +2 :              -0.00119049822453
                6d
                   -2 :               0.00045674260213
                   -1 :              -0.00027958929322
                   +0 :              -0.00022046193208
                   +1 :              -0.00037202348397
                   +2 :               0.00046124638643
                6p
                   -1 :               0.00018974134671
                   +0 :              -0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :              -0.00476558286030
                   -2 :              -0.00265408536333
                   -1 :               0.00009224455394
                   +0 :              -0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :              -0.00084119807951
                   +3 :               0.00230623017230
              6 vec=     7.146377      3.573189      3.505098   |vec|=    8.724912
                5s
                   +0 :               0.00097978484162
                5p
                   -1 :               0.00171075535704
                   +0 :               0.00153785355987
                   +1 :               0.00151537428244
                6s
                   +0 :              -0.00276299904418
                7s
                   +0 :               0.00033793629106
                5d
                   -2 :              -0.00164780838907
                   -1 :              -0.00542152990548
                   +0 :               0.00255305956999
                   +1 :               0.00404933359222
                   +2 :              -0.00119049822453
                6d
                   -2 :              -0.00045674260213
                   -1 :               0.00027958929322
                   +0 :              -0.00022046193208
                   +1 :              -0.00037202348397
                   +2 :               0.00046124638643
                6p
                   -1 :              -0.00018974134671
                   +0 :              -0.00014382720897
                   +1 :              -0.00014832958379
                4f
                   -3 :               0.00476558286030
                   -2 :               0.00265408536333
                   -1 :              -0.00009224455394
                   +0 :              -0.00167976352224
                   +1 :              -0.00304061647418
                   +2 :              -0.00084119807951
                   +3 :               0.00230623017230
              7 vec=    -3.573189      0.000000     -9.013109   |vec|=    9.695556
                5s
                   +0 :               0.00208865944991
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00033590607366
                   +1 :               0.00094322479096
                6s
                   +0 :               0.00141032654848
                7s
                   +0 :               0.00017069621513
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00897293907408
                   +1 :               0.00406455066887
                   +2 :              -0.00008528570472
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00060024157340
                   +1 :              -0.00075572409552
                   +2 :               0.00026880251410
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00003967430564
                   +1 :               0.00025520968585
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00558693584323
                   +1 :               0.00250578971144
                   +2 :               0.00003864114260
                   +3 :               0.00009876638000
              8 vec=     3.573189      0.000000     -9.013109   |vec|=    9.695556
                5s
                   +0 :              -0.00208865944991
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00033590607366
                   +1 :               0.00094322479096
                6s
                   +0 :              -0.00141032654848
                7s
                   +0 :              -0.00017069621513
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00897293907408
                   +1 :               0.00406455066887
                   +2 :               0.00008528570472
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00060024157340
                   +1 :              -0.00075572409552
                   +2 :              -0.00026880251410
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00003967430564
                   +1 :               0.00025520968585
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00558693584323
                   +1 :               0.00250578971144
                   +2 :              -0.00003864114260
                   +3 :               0.00009876638000
              9 vec=     0.000000    -10.719566      3.505098   |vec|=   11.278067
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00029078070305
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00122700256175
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00192705160065
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00020114507128
                   -1 :              -0.00000000000000
                   +1 :              -0.00025222863514
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003614197481
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00143093279932
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00021984671405
                   +2 :              -0.00000000000000
                   +3 :               0.00195443835939
             10 vec=     0.000000     10.719566      3.505098   |vec|=   11.278067
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +1 :               0.00029078070305
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00122700256175
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00192705160065
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00020114507128
                   -1 :               0.00000000000000
                   +1 :              -0.00025222863514
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003614197481
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00143093279932
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00021984671405
                   +2 :               0.00000000000000
                   +3 :               0.00195443835939
             11 vec=    -3.573189     -7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :              -0.00009768541481
                   +0 :              -0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :               0.00051877702655
                   +0 :              -0.00118935182401
                   +1 :              -0.00067387197714
                   +2 :               0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :              -0.00019280032792
                   +0 :              -0.00014273884556
                   +1 :               0.00003207569636
                   +2 :              -0.00003219396906
                6p
                   -1 :               0.00005387386161
                   +0 :               0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :              -0.00027840592503
                   -2 :              -0.00014055441177
                   -1 :               0.00050828460201
                   +0 :              -0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :               0.00020797975866
                   +3 :              -0.00009308017537
             12 vec=    -3.573189      7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :               0.00059831107803
                5p
                   -1 :               0.00009768541481
                   +0 :              -0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :               0.00021956142458
                7s
                   +0 :               0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :              -0.00051877702655
                   +0 :              -0.00118935182401
                   +1 :              -0.00067387197714
                   +2 :               0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :               0.00019280032792
                   +0 :              -0.00014273884556
                   +1 :               0.00003207569636
                   +2 :              -0.00003219396906
                6p
                   -1 :              -0.00005387386161
                   +0 :               0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :               0.00027840592503
                   -2 :               0.00014055441177
                   -1 :              -0.00050828460201
                   +0 :              -0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :               0.00020797975866
                   +3 :              -0.00009308017537
             13 vec=     3.573189     -7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :               0.00009768541481
                   +0 :               0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :              -0.00002930387850
                   -1 :              -0.00051877702655
                   +0 :               0.00118935182401
                   +1 :              -0.00067387197714
                   +2 :              -0.00005986357685
                6d
                   -2 :              -0.00003254092737
                   -1 :               0.00019280032792
                   +0 :               0.00014273884556
                   +1 :               0.00003207569636
                   +2 :               0.00003219396906
                6p
                   -1 :              -0.00005387386161
                   +0 :              -0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :               0.00027840592503
                   -2 :              -0.00014055441177
                   -1 :              -0.00050828460201
                   +0 :               0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :              -0.00020797975866
                   +3 :              -0.00009308017537
             14 vec=     3.573189      7.146377     -9.013109   |vec|=   12.044689
                5s
                   +0 :              -0.00059831107803
                5p
                   -1 :              -0.00009768541481
                   +0 :               0.00085341790387
                   +1 :               0.00006926955196
                6s
                   +0 :              -0.00021956142458
                7s
                   +0 :              -0.00005983182944
                5d
                   -2 :               0.00002930387850
                   -1 :               0.00051877702655
                   +0 :               0.00118935182401
                   +1 :              -0.00067387197714
                   +2 :              -0.00005986357685
                6d
                   -2 :               0.00003254092737
                   -1 :              -0.00019280032792
                   +0 :               0.00014273884556
                   +1 :               0.00003207569636
                   +2 :               0.00003219396906
                6p
                   -1 :               0.00005387386161
                   +0 :              -0.00008039909467
                   +1 :              -0.00001471030425
                4f
                   -3 :              -0.00027840592503
                   -2 :               0.00014055441177
                   -1 :               0.00050828460201
                   +0 :               0.00076885044190
                   +1 :              -0.00039581805164
                   +2 :              -0.00020797975866
                   +3 :              -0.00009308017537
             15 vec=    -7.146377    -10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :              -0.00041918100902
                   +0 :               0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :               0.00199822969099
                   +0 :              -0.00076017000323
                   +1 :              -0.00155724003845
                   +2 :              -0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :              -0.00015305489981
                   +0 :               0.00007475620987
                   +1 :               0.00016191293557
                   +2 :               0.00013850401706
                6p
                   -1 :              -0.00002975615153
                   +0 :               0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :              -0.00067551369121
                   -2 :              -0.00064463080895
                   -1 :              -0.00111391782583
                   +0 :               0.00020318662879
                   +1 :               0.00018920888062
                   +2 :              -0.00084545596590
                   +3 :              -0.00145695696713
             16 vec=    -7.146377     10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :               0.00003377791299
                5p
                   -1 :               0.00041918100902
                   +0 :               0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :               0.00023339905386
                7s
                   +0 :               0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :              -0.00199822969099
                   +0 :              -0.00076017000323
                   +1 :              -0.00155724003845
                   +2 :              -0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :               0.00015305489981
                   +0 :               0.00007475620987
                   +1 :               0.00016191293557
                   +2 :               0.00013850401706
                6p
                   -1 :               0.00002975615153
                   +0 :               0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :               0.00067551369121
                   -2 :               0.00064463080895
                   -1 :               0.00111391782583
                   +0 :               0.00020318662879
                   +1 :               0.00018920888062
                   +2 :              -0.00084545596590
                   +3 :              -0.00145695696713
             17 vec=     7.146377    -10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :               0.00041918100902
                   +0 :              -0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :               0.00108194783110
                   -1 :              -0.00199822969099
                   +0 :               0.00076017000323
                   +1 :              -0.00155724003845
                   +2 :               0.00009541670133
                6d
                   -2 :              -0.00010607911079
                   -1 :               0.00015305489981
                   +0 :              -0.00007475620987
                   +1 :               0.00016191293557
                   +2 :              -0.00013850401706
                6p
                   -1 :               0.00002975615153
                   +0 :              -0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :               0.00067551369121
                   -2 :              -0.00064463080895
                   -1 :               0.00111391782583
                   +0 :              -0.00020318662879
                   +1 :               0.00018920888062
                   +2 :               0.00084545596590
                   +3 :              -0.00145695696713
             18 vec=     7.146377     10.719566      3.505098   |vec|=   13.351611
                5s
                   +0 :              -0.00003377791299
                5p
                   -1 :              -0.00041918100902
                   +0 :              -0.00061606247036
                   +1 :               0.00001870959947
                6s
                   +0 :              -0.00023339905386
                7s
                   +0 :              -0.00003864548149
                5d
                   -2 :              -0.00108194783110
                   -1 :               0.00199822969099
                   +0 :               0.00076017000323
                   +1 :              -0.00155724003845
                   +2 :               0.00009541670133
                6d
                   -2 :               0.00010607911079
                   -1 :              -0.00015305489981
                   +0 :              -0.00007475620987
                   +1 :               0.00016191293557
                   +2 :              -0.00013850401706
                6p
                   -1 :              -0.00002975615153
                   +0 :              -0.00008969314720
                   +1 :               0.00008884498001
                4f
                   -3 :              -0.00067551369121
                   -2 :               0.00064463080895
                   -1 :              -0.00111391782583
                   +0 :              -0.00020318662879
                   +1 :               0.00018920888062
                   +2 :               0.00084545596590
                   +3 :              -0.00145695696713
             19 vec=   -10.719566      0.000000     -9.013109   |vec|=   14.005186
                5s
                   +0 :              -0.00029280485102
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00002615493671
                   +1 :               0.00002981718924
                6s
                   +0 :               0.00061776943241
                7s
                   +0 :              -0.00012066387972
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00019024016321
                   +1 :              -0.00094202349570
                   +2 :               0.00029326405122
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00019340161072
                   +1 :               0.00049034551397
                   +2 :              -0.00001404610750
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00022997350150
                   +1 :              -0.00011702900638
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00077904460353
                   +1 :              -0.00070387358391
                   +2 :               0.00007429165213
                   +3 :               0.00005106675608
             20 vec=    10.719566      0.000000     -9.013109   |vec|=   14.005186
                5s
                   +0 :               0.00029280485102
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00002615493671
                   +1 :               0.00002981718924
                6s
                   +0 :              -0.00061776943241
                7s
                   +0 :               0.00012066387972
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00019024016321
                   +1 :              -0.00094202349570
                   +2 :              -0.00029326405122
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00019340161072
                   +1 :               0.00049034551397
                   +2 :               0.00001404610750
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00022997350150
                   +1 :              -0.00011702900638
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00077904460353
                   +1 :              -0.00070387358391
                   +2 :              -0.00007429165213
                   +3 :               0.00005106675608
             21 vec=   -14.292755     -3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :              -0.00022723172330
                   +0 :              -0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :               0.00078921673202
                   +0 :               0.00021067715036
                   +1 :              -0.00065517676385
                   +2 :              -0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :              -0.00009160562892
                   +0 :              -0.00003445163865
                   +1 :               0.00008308779613
                   +2 :               0.00009627836521
                6p
                   -1 :              -0.00000633798654
                   +0 :              -0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :              -0.00095421107667
                   -2 :               0.00059805198333
                   -1 :               0.00010838124230
                   +0 :               0.00002675905199
                   +1 :               0.00038235744094
                   +2 :              -0.00030428260452
                   +3 :              -0.00022371777450
             22 vec=   -14.292755      3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :               0.00006006293401
                5p
                   -1 :               0.00022723172330
                   +0 :              -0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :               0.00006784004197
                7s
                   +0 :              -0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :              -0.00078921673202
                   +0 :               0.00021067715036
                   +1 :              -0.00065517676385
                   +2 :              -0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :               0.00009160562892
                   +0 :              -0.00003445163865
                   +1 :               0.00008308779613
                   +2 :               0.00009627836521
                6p
                   -1 :               0.00000633798654
                   +0 :              -0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :               0.00095421107667
                   -2 :              -0.00059805198333
                   -1 :              -0.00010838124230
                   +0 :               0.00002675905199
                   +1 :               0.00038235744094
                   +2 :              -0.00030428260452
                   +3 :              -0.00022371777450
             23 vec=    14.292755     -3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :               0.00022723172330
                   +0 :               0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :              -0.00079387698673
                   -1 :              -0.00078921673202
                   +0 :              -0.00021067715036
                   +1 :              -0.00065517676385
                   +2 :               0.00012676827619
                6d
                   -2 :               0.00007076023009
                   -1 :               0.00009160562892
                   +0 :               0.00003445163865
                   +1 :               0.00008308779613
                   +2 :              -0.00009627836521
                6p
                   -1 :               0.00000633798654
                   +0 :               0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :               0.00095421107667
                   -2 :               0.00059805198333
                   -1 :              -0.00010838124230
                   +0 :              -0.00002675905199
                   +1 :               0.00038235744094
                   +2 :               0.00030428260452
                   +3 :              -0.00022371777450
             24 vec=    14.292755      3.573189      3.505098   |vec|=   15.143851
                5s
                   +0 :              -0.00006006293401
                5p
                   -1 :              -0.00022723172330
                   +0 :               0.00002422127338
                   +1 :              -0.00010097316660
                6s
                   +0 :              -0.00006784004197
                7s
                   +0 :               0.00005506301237
                5d
                   -2 :               0.00079387698673
                   -1 :               0.00078921673202
                   +0 :              -0.00021067715036
                   +1 :              -0.00065517676385
                   +2 :               0.00012676827619
                6d
                   -2 :              -0.00007076023009
                   -1 :              -0.00009160562892
                   +0 :               0.00003445163865
                   +1 :               0.00008308779613
                   +2 :              -0.00009627836521
                6p
                   -1 :              -0.00000633798654
                   +0 :               0.00003700529305
                   +1 :              -0.00001139897465
                4f
                   -3 :              -0.00095421107667
                   -2 :              -0.00059805198333
                   -1 :               0.00010838124230
                   +0 :              -0.00002675905199
                   +1 :               0.00038235744094
                   +2 :               0.00030428260452
                   +3 :              -0.00022371777450
             25 vec=   -10.719566     -7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :               0.00000905070089
                   +0 :              -0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :              -0.00027062426908
                   +0 :              -0.00000955905133
                   +1 :               0.00038654694159
                   +2 :               0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :               0.00008674691493
                   +0 :              -0.00005135506831
                   +1 :              -0.00007141483418
                   +2 :              -0.00006208095548
                6p
                   -1 :              -0.00010063153111
                   +0 :              -0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :              -0.00001724381074
                   -2 :               0.00002047270774
                   -1 :              -0.00006485820026
                   +0 :              -0.00023377928073
                   +1 :               0.00036112583398
                   +2 :               0.00001423696152
                   +3 :               0.00023009602179
             26 vec=   -10.719566      7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :               0.00004251155103
                5p
                   -1 :              -0.00000905070089
                   +0 :              -0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :               0.00034297664351
                7s
                   +0 :              -0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :               0.00027062426908
                   +0 :              -0.00000955905133
                   +1 :               0.00038654694159
                   +2 :               0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :              -0.00008674691493
                   +0 :              -0.00005135506831
                   +1 :              -0.00007141483418
                   +2 :              -0.00006208095548
                6p
                   -1 :               0.00010063153111
                   +0 :              -0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :               0.00001724381074
                   -2 :              -0.00002047270774
                   -1 :               0.00006485820026
                   +0 :              -0.00023377928073
                   +1 :               0.00036112583398
                   +2 :               0.00001423696152
                   +3 :               0.00023009602179
             27 vec=    10.719566     -7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :              -0.00000905070089
                   +0 :               0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :              -0.00035810245999
                   -1 :               0.00027062426908
                   +0 :               0.00000955905133
                   +1 :               0.00038654694159
                   +2 :              -0.00015219706709
                6d
                   -2 :               0.00007356020435
                   -1 :              -0.00008674691493
                   +0 :               0.00005135506831
                   +1 :              -0.00007141483418
                   +2 :               0.00006208095548
                6p
                   -1 :               0.00010063153111
                   +0 :               0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :               0.00001724381074
                   -2 :               0.00002047270774
                   -1 :               0.00006485820026
                   +0 :               0.00023377928073
                   +1 :               0.00036112583398
                   +2 :              -0.00001423696152
                   +3 :               0.00023009602179
             28 vec=    10.719566      7.146377     -9.013109   |vec|=   15.723102
                5s
                   +0 :              -0.00004251155103
                5p
                   -1 :               0.00000905070089
                   +0 :               0.00001468122024
                   +1 :              -0.00006193892017
                6s
                   +0 :              -0.00034297664351
                7s
                   +0 :               0.00002068889290
                5d
                   -2 :               0.00035810245999
                   -1 :              -0.00027062426908
                   +0 :               0.00000955905133
                   +1 :               0.00038654694159
                   +2 :              -0.00015219706709
                6d
                   -2 :              -0.00007356020435
                   -1 :               0.00008674691493
                   +0 :               0.00005135506831
                   +1 :              -0.00007141483418
                   +2 :               0.00006208095548
                6p
                   -1 :              -0.00010063153111
                   +0 :               0.00002946027276
                   +1 :              -0.00003675035880
                4f
                   -3 :              -0.00001724381074
                   -2 :              -0.00002047270774
                   -1 :              -0.00006485820026
                   +0 :               0.00023377928073
                   +1 :               0.00036112583398
                   +2 :              -0.00001423696152
                   +3 :               0.00023009602179
             29 vec=    -3.573189      0.000000     16.023305   |vec|=   16.416881
                5s
                   +0 :              -0.00025355336011
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00012239290754
                   +1 :               0.00018559889829
                6s
                   +0 :               0.00031895795039
                7s
                   +0 :              -0.00003645610577
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00071682189522
                   +1 :              -0.00020490612010
                   +2 :               0.00042702880625
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00025471032628
                   +1 :              -0.00012843725610
                   +2 :               0.00000459591913
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00009949594882
                   +1 :              -0.00006142105585
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00035652806543
                   +1 :               0.00016621649351
                   +2 :              -0.00037870669801
                   +3 :               0.00005752086671
             30 vec=     3.573189      0.000000     16.023305   |vec|=   16.416881
                5s
                   +0 :               0.00025355336011
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00012239290754
                   +1 :               0.00018559889829
                6s
                   +0 :              -0.00031895795039
                7s
                   +0 :               0.00003645610577
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00071682189522
                   +1 :              -0.00020490612010
                   +2 :              -0.00042702880625
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00025471032628
                   +1 :              -0.00012843725610
                   +2 :              -0.00000459591913
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00009949594882
                   +1 :              -0.00006142105585
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00035652806543
                   +1 :               0.00016621649351
                   +2 :               0.00037870669801
                   +3 :               0.00005752086671
             31 vec=    -3.573189    -14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :               0.00007455106913
                   +0 :               0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :              -0.00032491436900
                   +0 :              -0.00014197210610
                   +1 :               0.00002326772183
                   +2 :               0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :               0.00011053472557
                   +0 :               0.00006603216631
                   +1 :              -0.00001788447330
                   +2 :              -0.00002149166634
                6p
                   -1 :              -0.00003003971019
                   +0 :              -0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :               0.00009115293853
                   -2 :              -0.00000645934008
                   -1 :              -0.00028858726985
                   +0 :               0.00025983030503
                   +1 :               0.00000419748708
                   +2 :               0.00006318603251
                   +3 :              -0.00002035837116
             32 vec=    -3.573189     14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :              -0.00010121337055
                5p
                   -1 :              -0.00007455106913
                   +0 :               0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :               0.00012641740934
                7s
                   +0 :              -0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :               0.00032491436900
                   +0 :              -0.00014197210610
                   +1 :               0.00002326772183
                   +2 :               0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :              -0.00011053472557
                   +0 :               0.00006603216631
                   +1 :              -0.00001788447330
                   +2 :              -0.00002149166634
                6p
                   -1 :               0.00003003971019
                   +0 :              -0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :              -0.00009115293853
                   -2 :               0.00000645934008
                   -1 :               0.00028858726985
                   +0 :               0.00025983030503
                   +1 :               0.00000419748708
                   +2 :               0.00006318603251
                   +3 :              -0.00002035837116
             33 vec=     3.573189    -14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :              -0.00007455106913
                   +0 :              -0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :               0.00002790404038
                   -1 :               0.00032491436900
                   +0 :               0.00014197210610
                   +1 :               0.00002326772183
                   +2 :              -0.00004224335233
                6d
                   -2 :              -0.00000973209324
                   -1 :              -0.00011053472557
                   +0 :              -0.00006603216631
                   +1 :              -0.00001788447330
                   +2 :               0.00002149166634
                6p
                   -1 :               0.00003003971019
                   +0 :               0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :              -0.00009115293853
                   -2 :              -0.00000645934008
                   -1 :               0.00028858726985
                   +0 :              -0.00025983030503
                   +1 :               0.00000419748708
                   +2 :              -0.00006318603251
                   +3 :              -0.00002035837116
             34 vec=     3.573189     14.292755     -9.013109   |vec|=   17.270977
                5s
                   +0 :               0.00010121337055
                5p
                   -1 :               0.00007455106913
                   +0 :              -0.00005438815190
                   +1 :              -0.00001499778423
                6s
                   +0 :              -0.00012641740934
                7s
                   +0 :               0.00001878954610
                5d
                   -2 :              -0.00002790404038
                   -1 :              -0.00032491436900
                   +0 :               0.00014197210610
                   +1 :               0.00002326772183
                   +2 :              -0.00004224335233
                6d
                   -2 :               0.00000973209324
                   -1 :               0.00011053472557
                   +0 :              -0.00006603216631
                   +1 :              -0.00001788447330
                   +2 :               0.00002149166634
                6p
                   -1 :              -0.00003003971019
                   +0 :               0.00007148253833
                   +1 :               0.00000579368734
                4f
                   -3 :               0.00009115293853
                   -2 :               0.00000645934008
                   -1 :              -0.00028858726985
                   +0 :              -0.00025983030503
                   +1 :               0.00000419748708
                   +2 :              -0.00006318603251
                   +3 :              -0.00002035837116
             35 vec=    -3.573189     -7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :              -0.00011578732939
                   +0 :               0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :               0.00047730775456
                   +0 :              -0.00032185221458
                   +1 :              -0.00013665481896
                   +2 :               0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :              -0.00004347416604
                   +0 :               0.00008484364360
                   +1 :               0.00001850724539
                   +2 :              -0.00002874584305
                6p
                   -1 :              -0.00003287012251
                   +0 :               0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :               0.00010941987742
                   -2 :               0.00003682076764
                   -1 :              -0.00016543915821
                   +0 :               0.00014548473456
                   +1 :               0.00005859668802
                   +2 :              -0.00018350785623
                   +3 :               0.00003856041469
             36 vec=    -3.573189      7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :               0.00001113667214
                5p
                   -1 :               0.00011578732939
                   +0 :               0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :               0.00021003203723
                7s
                   +0 :              -0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :              -0.00047730775456
                   +0 :              -0.00032185221458
                   +1 :              -0.00013665481896
                   +2 :               0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :               0.00004347416604
                   +0 :               0.00008484364360
                   +1 :               0.00001850724539
                   +2 :              -0.00002874584305
                6p
                   -1 :               0.00003287012251
                   +0 :               0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :              -0.00010941987742
                   -2 :              -0.00003682076764
                   -1 :               0.00016543915821
                   +0 :               0.00014548473456
                   +1 :               0.00005859668802
                   +2 :              -0.00018350785623
                   +3 :               0.00003856041469
             37 vec=     3.573189     -7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :               0.00011578732939
                   +0 :              -0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :              -0.00004560983797
                   -1 :              -0.00047730775456
                   +0 :               0.00032185221458
                   +1 :              -0.00013665481896
                   +2 :              -0.00022847659850
                6d
                   -2 :               0.00000442594226
                   -1 :               0.00004347416604
                   +0 :              -0.00008484364360
                   +1 :               0.00001850724539
                   +2 :               0.00002874584305
                6p
                   -1 :               0.00003287012251
                   +0 :              -0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :              -0.00010941987742
                   -2 :               0.00003682076764
                   -1 :               0.00016543915821
                   +0 :              -0.00014548473456
                   +1 :               0.00005859668802
                   +2 :               0.00018350785623
                   +3 :               0.00003856041469
             38 vec=     3.573189      7.146377     16.023305   |vec|=   17.904879
                5s
                   +0 :              -0.00001113667214
                5p
                   -1 :              -0.00011578732939
                   +0 :              -0.00023946847189
                   +1 :              -0.00000241532557
                6s
                   +0 :              -0.00021003203723
                7s
                   +0 :               0.00001444771608
                5d
                   -2 :               0.00004560983797
                   -1 :               0.00047730775456
                   +0 :               0.00032185221458
                   +1 :              -0.00013665481896
                   +2 :              -0.00022847659850
                6d
                   -2 :              -0.00000442594226
                   -1 :              -0.00004347416604
                   +0 :              -0.00008484364360
                   +1 :               0.00001850724539
                   +2 :               0.00002874584305
                6p
                   -1 :              -0.00003287012251
                   +0 :              -0.00003495230927
                   +1 :               0.00000710982113
                4f
                   -3 :               0.00010941987742
                   -2 :              -0.00003682076764
                   -1 :              -0.00016543915821
                   +0 :              -0.00014548473456
                   +1 :               0.00005859668802
                   +2 :               0.00018350785623
                   +3 :               0.00003856041469
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site Cu(  3)  npairs=  46
              1 vec=    -3.573189      0.000000      0.000000   |vec|=    3.573189
                3s
                   +0 :               0.04222595492986
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.05594623790358
                4s
                   +0 :               0.15295291302639
                5s
                   +0 :               0.00859777326771
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00471317619795
                   +1 :              -0.00000000000000
                   +2 :               0.04486922696171
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00665495594253
                   +1 :              -0.00000000000000
                   +2 :               0.01444828986242
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.09864477751860
              2 vec=     3.573189      0.000000      0.000000   |vec|=    3.573189
                3s
                   +0 :              -0.04222595492986
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.05594623790358
                4s
                   +0 :              -0.15295291302639
                5s
                   +0 :              -0.00859777326771
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00471317619795
                   +1 :               0.00000000000000
                   +2 :              -0.04486922696171
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00665495594253
                   +1 :               0.00000000000000
                   +2 :              -0.01444828986242
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.09864477751860
              3 vec=    -3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00063877915327
                3p
                   -1 :              -0.00132023942543
                   +0 :               0.00000000000000
                   +1 :               0.00034428680575
                4s
                   +0 :               0.01590168238684
                5s
                   +0 :               0.00054136806860
                3d
                   -2 :              -0.00284309530085
                   -1 :              -0.00000000000000
                   +0 :               0.00109081770243
                   +1 :               0.00000000000000
                   +2 :              -0.00437245428784
                4d
                   -2 :              -0.00057675243296
                   -1 :              -0.00000000000000
                   +0 :              -0.00010845035285
                   +1 :               0.00000000000000
                   +2 :              -0.00076245174195
                4p
                   -1 :              -0.00727225353808
                   +0 :              -0.00000000000000
                   +1 :               0.00366462303835
              4 vec=    -3.573189      7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :               0.00063877915327
                3p
                   -1 :               0.00132023942543
                   +0 :               0.00000000000000
                   +1 :               0.00034428680575
                4s
                   +0 :               0.01590168238684
                5s
                   +0 :               0.00054136806860
                3d
                   -2 :               0.00284309530085
                   -1 :               0.00000000000000
                   +0 :               0.00109081770243
                   +1 :               0.00000000000000
                   +2 :              -0.00437245428784
                4d
                   -2 :               0.00057675243296
                   -1 :               0.00000000000000
                   +0 :              -0.00010845035285
                   +1 :               0.00000000000000
                   +2 :              -0.00076245174195
                4p
                   -1 :               0.00727225353808
                   +0 :              -0.00000000000000
                   +1 :               0.00366462303835
              5 vec=     3.573189     -7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00063877915327
                3p
                   -1 :               0.00132023942543
                   +0 :              -0.00000000000000
                   +1 :               0.00034428680575
                4s
                   +0 :              -0.01590168238684
                5s
                   +0 :              -0.00054136806860
                3d
                   -2 :              -0.00284309530085
                   -1 :              -0.00000000000000
                   +0 :              -0.00109081770243
                   +1 :              -0.00000000000000
                   +2 :               0.00437245428784
                4d
                   -2 :              -0.00057675243296
                   -1 :              -0.00000000000000
                   +0 :               0.00010845035285
                   +1 :              -0.00000000000000
                   +2 :               0.00076245174195
                4p
                   -1 :               0.00727225353808
                   +0 :               0.00000000000000
                   +1 :               0.00366462303835
              6 vec=     3.573189      7.146377      0.000000   |vec|=    7.989893
                3s
                   +0 :              -0.00063877915327
                3p
                   -1 :              -0.00132023942543
                   +0 :              -0.00000000000000
                   +1 :               0.00034428680575
                4s
                   +0 :              -0.01590168238684
                5s
                   +0 :              -0.00054136806860
                3d
                   -2 :               0.00284309530085
                   -1 :               0.00000000000000
                   +0 :              -0.00109081770243
                   +1 :              -0.00000000000000
                   +2 :               0.00437245428784
                4d
                   -2 :               0.00057675243296
                   -1 :               0.00000000000000
                   +0 :               0.00010845035285
                   +1 :              -0.00000000000000
                   +2 :               0.00076245174195
                4p
                   -1 :              -0.00727225353808
                   +0 :              -0.00000000000000
                   +1 :               0.00366462303835
              7 vec=   -10.719566      0.000000      0.000000   |vec|=   10.719566
                3s
                   +0 :               0.00147154836376
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00060947855849
                4s
                   +0 :              -0.00754465523649
                5s
                   +0 :              -0.00048859360181
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00129919108377
                   +1 :              -0.00000000000000
                   +2 :               0.00089295718194
                4d
                   -2 :              -0.00000000000000
                   +0 :              -0.00005868317874
                   +1 :              -0.00000000000000
                   +2 :              -0.00013186216286
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00337890860754
              8 vec=    10.719566      0.000000      0.000000   |vec|=   10.719566
                3s
                   +0 :              -0.00147154836376
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00060947855849
                4s
                   +0 :               0.00754465523649
                5s
                   +0 :               0.00048859360181
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00129919108377
                   +1 :               0.00000000000000
                   +2 :              -0.00089295718194
                4d
                   -2 :               0.00000000000000
                   +0 :               0.00005868317874
                   +1 :               0.00000000000000
                   +2 :               0.00013186216286
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00337890860754
              9 vec=   -10.719566     -7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00018310311833
                3p
                   -1 :              -0.00003628926909
                   +1 :              -0.00018576036057
                4s
                   +0 :               0.00204093111150
                5s
                   +0 :               0.00044000204025
                3d
                   -2 :              -0.00058957879327
                   -1 :              -0.00000000000000
                   +0 :               0.00002952265804
                   +1 :              -0.00000000000000
                   +2 :               0.00123676424532
                4d
                   -2 :              -0.00013247301019
                   -1 :              -0.00000000000000
                   +0 :              -0.00003780488744
                   +1 :               0.00000000000000
                   +2 :               0.00024464420582
                4p
                   -1 :               0.00124833128932
                   +0 :               0.00000000000000
                   +1 :              -0.00199746228840
             10 vec=   -10.719566      7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :               0.00018310311833
                3p
                   -1 :               0.00003628926909
                   +0 :              -0.00000000000000
                   +1 :              -0.00018576036057
                4s
                   +0 :               0.00204093111150
                5s
                   +0 :               0.00044000204025
                3d
                   -2 :               0.00058957879327
                   -1 :               0.00000000000000
                   +0 :               0.00002952265804
                   +1 :               0.00000000000000
                   +2 :               0.00123676424532
                4d
                   -2 :               0.00013247301019
                   -1 :               0.00000000000000
                   +0 :              -0.00003780488744
                   +1 :               0.00000000000000
                   +2 :               0.00024464420582
                4p
                   -1 :              -0.00124833128932
                   +0 :              -0.00000000000000
                   +1 :              -0.00199746228840
             11 vec=    10.719566     -7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00018310311833
                3p
                   -1 :               0.00003628926909
                   +0 :              -0.00000000000000
                   +1 :              -0.00018576036057
                4s
                   +0 :              -0.00204093111150
                5s
                   +0 :              -0.00044000204025
                3d
                   -2 :              -0.00058957879327
                   -1 :              -0.00000000000000
                   +0 :              -0.00002952265804
                   +1 :              -0.00000000000000
                   +2 :              -0.00123676424532
                4d
                   -2 :              -0.00013247301019
                   -1 :              -0.00000000000000
                   +0 :               0.00003780488744
                   +1 :              -0.00000000000000
                   +2 :              -0.00024464420582
                4p
                   -1 :              -0.00124833128932
                   +0 :              -0.00000000000000
                   +1 :              -0.00199746228840
             12 vec=    10.719566      7.146377      0.000000   |vec|=   12.883315
                3s
                   +0 :              -0.00018310311833
                3p
                   -1 :              -0.00003628926909
                   +1 :              -0.00018576036057
                4s
                   +0 :              -0.00204093111150
                5s
                   +0 :              -0.00044000204025
                3d
                   -2 :               0.00058957879327
                   -1 :               0.00000000000000
                   +0 :              -0.00002952265804
                   +1 :               0.00000000000000
                   +2 :              -0.00123676424532
                4d
                   -2 :               0.00013247301019
                   -1 :               0.00000000000000
                   +0 :               0.00003780488744
                   +1 :              -0.00000000000000
                   +2 :              -0.00024464420582
                4p
                   -1 :               0.00124833128932
                   +0 :              -0.00000000000000
                   +1 :              -0.00199746228840
             13 vec=     0.000000     -3.573189    -12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00009024789339
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00015822715128
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00034273665860
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000102550635
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001394070671
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00022584421106
             14 vec=     0.000000     -3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00009024789339
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00015822715128
                   -1 :               0.00000000000000
                   +1 :               0.00034273665860
                4d
                   -2 :               0.00000102550635
                   -1 :               0.00000000000000
                   +1 :               0.00001394070671
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00022584421106
             15 vec=     0.000000      3.573189    -12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00009024789339
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00015822715128
                   -1 :              -0.00000000000000
                   +1 :              -0.00034273665860
                4d
                   -2 :              -0.00000102550635
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001394070671
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00022584421106
             16 vec=     0.000000      3.573189     12.518207   |vec|=   13.018187
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00009024789339
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00015822715128
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00034273665860
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000102550635
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001394070671
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00022584421106
             17 vec=    -3.573189    -14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00023260727276
                3p
                   -1 :              -0.00014911515141
                   +0 :              -0.00000000000000
                   +1 :               0.00002785843635
                4s
                   +0 :              -0.00072821544637
                5s
                   +0 :              -0.00006697990037
                3d
                   -2 :               0.00018086466616
                   -1 :              -0.00000000000000
                   +0 :              -0.00012607774390
                   +1 :              -0.00000000000000
                   +2 :              -0.00009411121426
                4d
                   -2 :               0.00003198771537
                   -1 :              -0.00000000000000
                   +0 :               0.00000689585824
                   +1 :              -0.00000000000000
                   +2 :               0.00000856855441
                4p
                   -1 :               0.00047107830402
                   +1 :              -0.00020354730458
             18 vec=    -3.573189     14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :               0.00023260727276
                3p
                   -1 :               0.00014911515141
                   +0 :               0.00000000000000
                   +1 :               0.00002785843635
                4s
                   +0 :              -0.00072821544637
                5s
                   +0 :              -0.00006697990037
                3d
                   -2 :              -0.00018086466616
                   -1 :              -0.00000000000000
                   +0 :              -0.00012607774390
                   +1 :               0.00000000000000
                   +2 :              -0.00009411121426
                4d
                   -2 :              -0.00003198771537
                   -1 :              -0.00000000000000
                   +0 :               0.00000689585824
                   +1 :               0.00000000000000
                   +2 :               0.00000856855441
                4p
                   -1 :              -0.00047107830402
                   +0 :              -0.00000000000000
                   +1 :              -0.00020354730458
             19 vec=     3.573189    -14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00023260727276
                3p
                   -1 :               0.00014911515141
                   +0 :               0.00000000000000
                   +1 :               0.00002785843635
                4s
                   +0 :               0.00072821544637
                5s
                   +0 :               0.00006697990037
                3d
                   -2 :               0.00018086466616
                   -1 :               0.00000000000000
                   +0 :               0.00012607774390
                   +1 :              -0.00000000000000
                   +2 :               0.00009411121426
                4d
                   -2 :               0.00003198771537
                   -1 :               0.00000000000000
                   +0 :              -0.00000689585824
                   +1 :              -0.00000000000000
                   +2 :              -0.00000856855441
                4p
                   -1 :              -0.00047107830402
                   +0 :               0.00000000000000
                   +1 :              -0.00020354730458
             20 vec=     3.573189     14.292755      0.000000   |vec|=   14.732634
                3s
                   +0 :              -0.00023260727276
                3p
                   -1 :              -0.00014911515141
                   +1 :               0.00002785843635
                4s
                   +0 :               0.00072821544637
                5s
                   +0 :               0.00006697990037
                3d
                   -2 :              -0.00018086466616
                   -1 :               0.00000000000000
                   +0 :               0.00012607774390
                   +1 :               0.00000000000000
                   +2 :               0.00009411121426
                4d
                   -2 :              -0.00003198771537
                   -1 :               0.00000000000000
                   +0 :              -0.00000689585824
                   +1 :               0.00000000000000
                   +2 :              -0.00000856855441
                4p
                   -1 :               0.00047107830402
                   +0 :              -0.00000000000000
                   +1 :              -0.00020354730458
             21 vec=    -7.146377     -3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :              -0.00003505564024
                   +0 :              -0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :              -0.00011512848593
                   +0 :               0.00018108700429
                   +1 :              -0.00002898232969
                   +2 :               0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :              -0.00003204628223
                   +0 :               0.00001628631537
                   +1 :              -0.00001274065659
                   +2 :               0.00000797384935
                4p
                   -1 :               0.00019345023500
                   +0 :              -0.00014544704218
                   +1 :               0.00008410499545
             22 vec=    -7.146377     -3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :              -0.00003505564024
                   +0 :               0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :               0.00011512848593
                   +0 :               0.00018108700429
                   +1 :               0.00002898232969
                   +2 :               0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :               0.00003204628223
                   +0 :               0.00001628631537
                   +1 :               0.00001274065659
                   +2 :               0.00000797384935
                4p
                   -1 :               0.00019345023500
                   +0 :               0.00014544704218
                   +1 :               0.00008410499545
             23 vec=    -7.146377      3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :               0.00003505564024
                   +0 :              -0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :               0.00011512848593
                   +0 :               0.00018108700429
                   +1 :              -0.00002898232969
                   +2 :               0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :               0.00003204628223
                   +0 :               0.00001628631537
                   +1 :              -0.00001274065659
                   +2 :               0.00000797384935
                4p
                   -1 :              -0.00019345023500
                   +0 :              -0.00014544704218
                   +1 :               0.00008410499545
             24 vec=    -7.146377      3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :               0.00007110951419
                3p
                   -1 :               0.00003505564024
                   +0 :               0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :               0.00010144135192
                5s
                   +0 :               0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :              -0.00011512848593
                   +0 :               0.00018108700429
                   +1 :               0.00002898232969
                   +2 :               0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :              -0.00003204628223
                   +0 :               0.00001628631537
                   +1 :               0.00001274065659
                   +2 :               0.00000797384935
                4p
                   -1 :              -0.00019345023500
                   +0 :               0.00014544704218
                   +1 :               0.00008410499545
             25 vec=     7.146377     -3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :               0.00003505564024
                   +0 :               0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :               0.00011512848593
                   +0 :              -0.00018108700429
                   +1 :              -0.00002898232969
                   +2 :              -0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :               0.00003204628223
                   +0 :              -0.00001628631537
                   +1 :              -0.00001274065659
                   +2 :              -0.00000797384935
                4p
                   -1 :              -0.00019345023500
                   +0 :               0.00014544704218
                   +1 :               0.00008410499545
             26 vec=     7.146377     -3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :               0.00003505564024
                   +0 :              -0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :              -0.00006994651174
                   -1 :              -0.00011512848593
                   +0 :              -0.00018108700429
                   +1 :               0.00002898232969
                   +2 :              -0.00000142141909
                4d
                   -2 :              -0.00002273700300
                   -1 :              -0.00003204628223
                   +0 :              -0.00001628631537
                   +1 :               0.00001274065659
                   +2 :              -0.00000797384935
                4p
                   -1 :              -0.00019345023500
                   +0 :              -0.00014544704218
                   +1 :               0.00008410499545
             27 vec=     7.146377      3.573189    -12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :              -0.00003505564024
                   +0 :               0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :              -0.00011512848593
                   +0 :              -0.00018108700429
                   +1 :              -0.00002898232969
                   +2 :              -0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :              -0.00003204628223
                   +0 :              -0.00001628631537
                   +1 :              -0.00001274065659
                   +2 :              -0.00000797384935
                4p
                   -1 :               0.00019345023500
                   +0 :               0.00014544704218
                   +1 :               0.00008410499545
             28 vec=     7.146377      3.573189     12.518207   |vec|=   14.850720
                3s
                   +0 :              -0.00007110951419
                3p
                   -1 :              -0.00003505564024
                   +0 :              -0.00005308519118
                   +1 :              -0.00001519794967
                4s
                   +0 :              -0.00010144135192
                5s
                   +0 :              -0.00000562428029
                3d
                   -2 :               0.00006994651174
                   -1 :               0.00011512848593
                   +0 :              -0.00018108700429
                   +1 :               0.00002898232969
                   +2 :              -0.00000142141909
                4d
                   -2 :               0.00002273700300
                   -1 :               0.00003204628223
                   +0 :              -0.00001628631537
                   +1 :               0.00001274065659
                   +2 :              -0.00000797384935
                4p
                   -1 :               0.00019345023500
                   +0 :              -0.00014544704218
                   +1 :               0.00008410499545
             29 vec=     0.000000    -10.719566    -12.518207   |vec|=   16.480734
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002018281902
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00005647550126
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00005824725995
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001942291218
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001007769887
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00008747765595
             30 vec=     0.000000    -10.719566     12.518207   |vec|=   16.480734
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002018281902
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00005647550126
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005824725995
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00001942291218
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001007769887
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00008747765595
             31 vec=     0.000000     10.719566    -12.518207   |vec|=   16.480734
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002018281902
                3d
                   -2 :              -0.00005647550126
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005824725995
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00001942291218
                   -1 :               0.00000000000000
                   +1 :               0.00001007769887
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00008747765595
             32 vec=     0.000000     10.719566     12.518207   |vec|=   16.480734
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002018281902
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00005647550126
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005824725995
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00001942291218
                   -1 :              -0.00000000000000
                   +1 :              -0.00001007769887
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00008747765595
             33 vec=   -17.865943      0.000000      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00006232216854
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005355979806
                4s
                   +0 :              -0.00017945724707
                5s
                   +0 :               0.00003108543108
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001659073252
                   +1 :               0.00000000000000
                   +2 :               0.00020591526272
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000893857368
                   +2 :              -0.00000220678226
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002081293281
             34 vec=   -10.719566    -14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00001493253046
                3p
                   -1 :              -0.00003159077569
                   +0 :               0.00000000000000
                   +1 :              -0.00002721137705
                4s
                   +0 :               0.00076851986831
                5s
                   +0 :               0.00000498288686
                3d
                   -2 :              -0.00017111796744
                   -1 :              -0.00000000000000
                   +0 :              -0.00002781386360
                   +1 :               0.00000000000000
                   +2 :              -0.00035228642641
                4d
                   -2 :              -0.00003057930768
                   -1 :              -0.00000000000000
                   +0 :              -0.00002412382686
                   +1 :               0.00000000000000
                   +2 :              -0.00007278523367
                4p
                   -1 :              -0.00055150960497
                   +1 :               0.00033670460394
             35 vec=   -10.719566     14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :              -0.00001493253046
                3p
                   -1 :               0.00003159077569
                   +0 :              -0.00000000000000
                   +1 :              -0.00002721137705
                4s
                   +0 :               0.00076851986831
                5s
                   +0 :               0.00000498288686
                3d
                   -2 :               0.00017111796744
                   -1 :               0.00000000000000
                   +0 :              -0.00002781386360
                   +1 :               0.00000000000000
                   +2 :              -0.00035228642641
                4d
                   -2 :               0.00003057930768
                   -1 :               0.00000000000000
                   +0 :              -0.00002412382686
                   +1 :               0.00000000000000
                   +2 :              -0.00007278523367
                4p
                   -1 :               0.00055150960497
                   +0 :              -0.00000000000000
                   +1 :               0.00033670460394
             36 vec=    10.719566    -14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00001493253046
                3p
                   -1 :               0.00003159077569
                   +0 :              -0.00000000000000
                   +1 :              -0.00002721137705
                4s
                   +0 :              -0.00076851986831
                5s
                   +0 :              -0.00000498288686
                3d
                   -2 :              -0.00017111796744
                   -1 :              -0.00000000000000
                   +0 :               0.00002781386360
                   +1 :              -0.00000000000000
                   +2 :               0.00035228642641
                4d
                   -2 :              -0.00003057930768
                   -1 :              -0.00000000000000
                   +0 :               0.00002412382686
                   +1 :               0.00000000000000
                   +2 :               0.00007278523367
                4p
                   -1 :               0.00055150960497
                   +0 :               0.00000000000000
                   +1 :               0.00033670460394
             37 vec=    10.719566     14.292755      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00001493253046
                3p
                   -1 :              -0.00003159077569
                   +0 :              -0.00000000000000
                   +1 :              -0.00002721137705
                4s
                   +0 :              -0.00076851986831
                5s
                   +0 :              -0.00000498288686
                3d
                   -2 :               0.00017111796744
                   -1 :               0.00000000000000
                   +0 :               0.00002781386360
                   +1 :              -0.00000000000000
                   +2 :               0.00035228642641
                4d
                   -2 :               0.00003057930768
                   -1 :               0.00000000000000
                   +0 :               0.00002412382686
                   +1 :              -0.00000000000000
                   +2 :               0.00007278523367
                4p
                   -1 :              -0.00055150960497
                   +0 :              -0.00000000000000
                   +1 :               0.00033670460394
             38 vec=    17.865943      0.000000      0.000000   |vec|=   17.865943
                3s
                   +0 :               0.00006232216854
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005355979806
                4s
                   +0 :               0.00017945724707
                5s
                   +0 :              -0.00003108543108
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001659073252
                   +1 :              -0.00000000000000
                   +2 :              -0.00020591526272
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000893857368
                   +2 :               0.00000220678226
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002081293281
             39 vec=    -7.146377    -10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :               0.00000099863663
                   +0 :              -0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :               0.00000612456442
                   +0 :               0.00006470106804
                   +1 :               0.00000493552720
                   +2 :              -0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :               0.00000337569624
                   +0 :               0.00000328349228
                   +1 :              -0.00000326439272
                   +2 :              -0.00001062222324
                4p
                   -1 :              -0.00007895920078
                   +0 :              -0.00000838475304
                   +1 :               0.00008120734321
             40 vec=    -7.146377    -10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :               0.00000099863663
                   +0 :               0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :              -0.00000612456442
                   +0 :               0.00006470106804
                   +1 :              -0.00000493552720
                   +2 :              -0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :              -0.00000337569624
                   +0 :               0.00000328349228
                   +1 :               0.00000326439272
                   +2 :              -0.00001062222324
                4p
                   -1 :              -0.00007895920078
                   +0 :               0.00000838475304
                   +1 :               0.00008120734321
             41 vec=    -7.146377     10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :              -0.00000099863663
                   +0 :              -0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :              -0.00000612456442
                   +0 :               0.00006470106804
                   +1 :               0.00000493552720
                   +2 :              -0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :              -0.00000337569624
                   +0 :               0.00000328349228
                   +1 :              -0.00000326439272
                   +2 :              -0.00001062222324
                4p
                   -1 :               0.00007895920078
                   +0 :              -0.00000838475304
                   +1 :               0.00008120734321
             42 vec=    -7.146377     10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :               0.00000637240953
                3p
                   -1 :              -0.00000099863663
                   +0 :               0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :               0.00007035471540
                5s
                   +0 :               0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :               0.00000612456442
                   +0 :               0.00006470106804
                   +1 :              -0.00000493552720
                   +2 :              -0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :               0.00000337569624
                   +0 :               0.00000328349228
                   +1 :               0.00000326439272
                   +2 :              -0.00001062222324
                4p
                   -1 :               0.00007895920078
                   +0 :               0.00000838475304
                   +1 :               0.00008120734321
             43 vec=     7.146377    -10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :              -0.00000099863663
                   +0 :               0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :              -0.00000612456442
                   +0 :              -0.00006470106804
                   +1 :               0.00000493552720
                   +2 :               0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :              -0.00000337569624
                   +0 :              -0.00000328349228
                   +1 :              -0.00000326439272
                   +2 :               0.00001062222324
                4p
                   -1 :               0.00007895920078
                   +0 :               0.00000838475304
                   +1 :               0.00008120734321
             44 vec=     7.146377    -10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :              -0.00000099863663
                   +0 :              -0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :              -0.00001174939114
                   -1 :               0.00000612456442
                   +0 :              -0.00006470106804
                   +1 :              -0.00000493552720
                   +2 :               0.00008358032946
                4d
                   -2 :              -0.00000730191633
                   -1 :               0.00000337569624
                   +0 :              -0.00000328349228
                   +1 :               0.00000326439272
                   +2 :               0.00001062222324
                4p
                   -1 :               0.00007895920078
                   +0 :              -0.00000838475304
                   +1 :               0.00008120734321
             45 vec=     7.146377     10.719566    -12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :               0.00000099863663
                   +0 :               0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :               0.00000612456442
                   +0 :              -0.00006470106804
                   +1 :               0.00000493552720
                   +2 :               0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :               0.00000337569624
                   +0 :              -0.00000328349228
                   +1 :              -0.00000326439272
                   +2 :               0.00001062222324
                4p
                   -1 :              -0.00007895920078
                   +0 :               0.00000838475304
                   +1 :               0.00008120734321
             46 vec=     7.146377     10.719566     12.518207   |vec|=   17.963444
                3s
                   +0 :              -0.00000637240953
                3p
                   -1 :               0.00000099863663
                   +0 :              -0.00000542713709
                   +1 :              -0.00000614373638
                4s
                   +0 :              -0.00007035471540
                5s
                   +0 :              -0.00001432197081
                3d
                   -2 :               0.00001174939114
                   -1 :              -0.00000612456442
                   +0 :              -0.00006470106804
                   +1 :              -0.00000493552720
                   +2 :               0.00008358032946
                4d
                   -2 :               0.00000730191633
                   -1 :              -0.00000337569624
                   +0 :              -0.00000328349228
                   +1 :               0.00000326439272
                   +2 :               0.00001062222324
                4p
                   -1 :              -0.00007895920078
                   +0 :              -0.00000838475304
                   +1 :               0.00008120734321
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site O (  4)  npairs=  34
              1 vec=    -3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00530014231866
                2s
                   +0 :              -0.08464501709063
                3s
                   +0 :               0.01148767691809
                2p
                   -1 :               0.05223817987035
                   +0 :              -0.00000000000000
                   +1 :               0.02877843453851
                3p
                   -1 :              -0.01118006831879
                   +0 :              -0.00000000000000
                   +1 :              -0.00681742579327
                3d
                   -2 :              -0.00183585228570
                   -1 :              -0.00000000000000
                   +0 :               0.00169626802290
                   +1 :              -0.00000000000000
                   +2 :               0.00168024758286
              2 vec=    -3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :               0.00530014231866
                2s
                   +0 :              -0.08464501709063
                3s
                   +0 :               0.01148767691809
                2p
                   -1 :              -0.05223817987035
                   +1 :               0.02877843453851
                3p
                   -1 :               0.01118006831879
                   +0 :              -0.00000000000000
                   +1 :              -0.00681742579327
                3d
                   -2 :               0.00183585228570
                   -1 :               0.00000000000000
                   +0 :               0.00169626802290
                   +1 :              -0.00000000000000
                   +2 :               0.00168024758286
              3 vec=     3.573189     -3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00530014231866
                2s
                   +0 :               0.08464501709063
                3s
                   +0 :              -0.01148767691809
                2p
                   -1 :              -0.05223817987035
                   +1 :               0.02877843453851
                3p
                   -1 :               0.01118006831879
                   +0 :              -0.00000000000000
                   +1 :              -0.00681742579327
                3d
                   -2 :              -0.00183585228570
                   -1 :              -0.00000000000000
                   +0 :              -0.00169626802290
                   +1 :               0.00000000000000
                   +2 :              -0.00168024758286
              4 vec=     3.573189      3.573189      0.000000   |vec|=    5.053252
                1s
                   +0 :              -0.00530014231866
                2s
                   +0 :               0.08464501709063
                3s
                   +0 :              -0.01148767691809
                2p
                   -1 :               0.05223817987035
                   +0 :               0.00000000000000
                   +1 :               0.02877843453851
                3p
                   -1 :              -0.01118006831879
                   +0 :               0.00000000000000
                   +1 :              -0.00681742579327
                3d
                   -2 :               0.00183585228570
                   -1 :               0.00000000000000
                   +0 :              -0.00169626802290
                   +1 :               0.00000000000000
                   +2 :              -0.00168024758286
              5 vec=   -10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00019552226202
                2s
                   +0 :               0.00227911391514
                3s
                   +0 :              -0.00041105428837
                2p
                   -1 :              -0.00149464931866
                   +1 :               0.00000459471316
                3p
                   -1 :               0.00026802570227
                   +0 :               0.00000000000000
                   +1 :              -0.00001903906242
                3d
                   -2 :               0.00011806054569
                   -1 :               0.00000000000000
                   +0 :              -0.00000384241573
                   +2 :               0.00000961648059
              6 vec=   -10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00019552226202
                2s
                   +0 :               0.00227911391514
                3s
                   +0 :              -0.00041105428837
                2p
                   -1 :               0.00149464931866
                   +0 :               0.00000000000000
                   +1 :               0.00000459471316
                3p
                   -1 :              -0.00026802570227
                   +0 :               0.00000000000000
                   +1 :              -0.00001903906242
                3d
                   -2 :              -0.00011806054569
                   -1 :               0.00000000000000
                   +0 :              -0.00000384241573
                   +1 :              -0.00000000000000
                   +2 :               0.00000961648059
              7 vec=    -3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006112470659
                2s
                   +0 :               0.00115315127235
                3s
                   +0 :              -0.00014561130271
                2p
                   -1 :               0.00138836225949
                   +0 :               0.00000000000000
                   +1 :              -0.00117920072070
                3p
                   -1 :              -0.00041504534308
                   +1 :               0.00026301176706
                3d
                   -2 :               0.00010034318322
                   -1 :               0.00000000000000
                   +0 :              -0.00000868163693
                   +1 :               0.00000000000000
                   +2 :              -0.00000373940438
              8 vec=    -3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :              -0.00006112470659
                2s
                   +0 :               0.00115315127235
                3s
                   +0 :              -0.00014561130271
                2p
                   -1 :              -0.00138836225949
                   +1 :              -0.00117920072070
                3p
                   -1 :               0.00041504534308
                   +0 :               0.00000000000000
                   +1 :               0.00026301176706
                3d
                   -2 :              -0.00010034318322
                   -1 :               0.00000000000000
                   +0 :              -0.00000868163693
                   +1 :               0.00000000000000
                   +2 :              -0.00000373940438
              9 vec=     3.573189    -10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006112470659
                2s
                   +0 :              -0.00115315127235
                3s
                   +0 :               0.00014561130271
                2p
                   -1 :              -0.00138836225949
                   +0 :              -0.00000000000000
                   +1 :              -0.00117920072070
                3p
                   -1 :               0.00041504534308
                   +0 :               0.00000000000000
                   +1 :               0.00026301176706
                3d
                   -2 :               0.00010034318322
                   -1 :              -0.00000000000000
                   +0 :               0.00000868163693
                   +1 :              -0.00000000000000
                   +2 :               0.00000373940438
             10 vec=     3.573189     10.719566      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00006112470659
                2s
                   +0 :              -0.00115315127235
                3s
                   +0 :               0.00014561130271
                2p
                   -1 :               0.00138836225949
                   +0 :               0.00000000000000
                   +1 :              -0.00117920072070
                3p
                   -1 :              -0.00041504534308
                   +1 :               0.00026301176706
                3d
                   -2 :              -0.00010034318322
                   -1 :              -0.00000000000000
                   +0 :               0.00000868163693
                   +1 :              -0.00000000000000
                   +2 :               0.00000373940438
             11 vec=    10.719566     -3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00019552226202
                2s
                   +0 :              -0.00227911391514
                3s
                   +0 :               0.00041105428837
                2p
                   -1 :               0.00149464931866
                   +0 :               0.00000000000000
                   +1 :               0.00000459471316
                3p
                   -1 :              -0.00026802570227
                   +1 :              -0.00001903906242
                3d
                   -2 :               0.00011806054569
                   -1 :              -0.00000000000000
                   +0 :               0.00000384241573
                   +2 :              -0.00000961648059
             12 vec=    10.719566      3.573189      0.000000   |vec|=   11.299415
                1s
                   +0 :               0.00019552226202
                2s
                   +0 :              -0.00227911391514
                3s
                   +0 :               0.00041105428837
                2p
                   -1 :              -0.00149464931866
                   +1 :               0.00000459471316
                3p
                   -1 :               0.00026802570227
                   +0 :               0.00000000000000
                   +1 :              -0.00001903906242
                3d
                   -2 :              -0.00011806054569
                   -1 :              -0.00000000000000
                   +0 :               0.00000384241573
                   +1 :               0.00000000000000
                   +2 :              -0.00000961648059
             13 vec=     0.000000      0.000000    -12.518207   |vec|=   12.518207
                1s
                   +0 :               0.00000000000000
                2p
                   +1 :              -0.00366197670780
                3p
                   +0 :               0.00000000000000
                   +1 :               0.00093643534890
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002395626070
                   +2 :               0.00000000000000
             14 vec=     0.000000      0.000000     12.518207   |vec|=   12.518207
                1s
                   +0 :              -0.00000000000000
                2p
                   +1 :              -0.00366197670780
                3p
                   +0 :               0.00000000000000
                   +1 :               0.00093643534890
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002395626070
                   +2 :              -0.00000000000000
             15 vec=    -7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002325893763
                2s
                   +0 :               0.00037673548995
                3s
                   +0 :              -0.00032296297352
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00043586534550
                   +1 :               0.00071152406829
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00019496542562
                   +1 :               0.00018847493797
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00006299863915
                   +1 :              -0.00005822218984
                   +2 :              -0.00006978205719
             16 vec=    -7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00002325893763
                2s
                   +0 :               0.00037673548995
                3s
                   +0 :              -0.00032296297352
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00043586534550
                   +1 :               0.00071152406829
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00019496542562
                   +1 :               0.00018847493797
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00006299863915
                   +1 :               0.00005822218984
                   +2 :              -0.00006978205719
             17 vec=     0.000000     -7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017837382138
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00011871524526
                3d
                   -2 :               0.00000936802491
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002990843284
                   +2 :              -0.00000000000000
             18 vec=     0.000000     -7.146377     12.518207   |vec|=   14.414445
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00017837382138
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00011871524526
                3d
                   -2 :               0.00000936802491
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002990843284
                   +2 :               0.00000000000000
             19 vec=     0.000000      7.146377    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00017837382138
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00011871524526
                3d
                   -2 :              -0.00000936802491
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002990843284
                   +2 :              -0.00000000000000
             20 vec=     0.000000      7.146377     12.518207   |vec|=   14.414445
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00017837382138
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00011871524526
                3d
                   -2 :              -0.00000936802491
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002990843284
                   +2 :               0.00000000000000
             21 vec=     7.146377      0.000000    -12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002325893763
                2s
                   +0 :              -0.00037673548995
                3s
                   +0 :               0.00032296297352
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00043586534550
                   +1 :               0.00071152406829
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00019496542562
                   +1 :               0.00018847493797
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00006299863915
                   +1 :              -0.00005822218984
                   +2 :               0.00006978205719
             22 vec=     7.146377      0.000000     12.518207   |vec|=   14.414445
                1s
                   +0 :               0.00002325893763
                2s
                   +0 :              -0.00037673548995
                3s
                   +0 :               0.00032296297352
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00043586534550
                   +1 :               0.00071152406829
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00019496542562
                   +1 :               0.00018847493797
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00006299863915
                   +1 :               0.00005822218984
                   +2 :               0.00006978205719
             23 vec=   -10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00018748150925
                2s
                   +0 :              -0.00254854303543
                3s
                   +0 :               0.00040072563932
                2p
                   -1 :               0.00186902630869
                   +1 :               0.00117014364415
                3p
                   -1 :              -0.00014453967509
                   +0 :               0.00000000000000
                   +1 :              -0.00017420046109
                3d
                   -2 :              -0.00008911871757
                   -1 :              -0.00000000000000
                   +0 :               0.00005187411657
                   +2 :               0.00001352359939
             24 vec=   -10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :               0.00018748150925
                2s
                   +0 :              -0.00254854303543
                3s
                   +0 :               0.00040072563932
                2p
                   -1 :              -0.00186902630869
                   +0 :              -0.00000000000000
                   +1 :               0.00117014364415
                3p
                   -1 :               0.00014453967509
                   +1 :              -0.00017420046109
                3d
                   -2 :               0.00008911871757
                   -1 :               0.00000000000000
                   +0 :               0.00005187411657
                   +1 :               0.00000000000000
                   +2 :               0.00001352359939
             25 vec=    10.719566    -10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00018748150925
                2s
                   +0 :               0.00254854303543
                3s
                   +0 :              -0.00040072563932
                2p
                   -1 :              -0.00186902630869
                   +0 :               0.00000000000000
                   +1 :               0.00117014364415
                3p
                   -1 :               0.00014453967509
                   +0 :              -0.00000000000000
                   +1 :              -0.00017420046109
                3d
                   -2 :              -0.00008911871757
                   -1 :              -0.00000000000000
                   +0 :              -0.00005187411657
                   +1 :              -0.00000000000000
                   +2 :              -0.00001352359939
             26 vec=    10.719566     10.719566      0.000000   |vec|=   15.159756
                1s
                   +0 :              -0.00018748150925
                2s
                   +0 :               0.00254854303543
                3s
                   +0 :              -0.00040072563932
                2p
                   -1 :               0.00186902630869
                   +1 :               0.00117014364415
                3p
                   -1 :              -0.00014453967509
                   +0 :               0.00000000000000
                   +1 :              -0.00017420046109
                3d
                   -2 :               0.00008911871757
                   -1 :               0.00000000000000
                   +0 :              -0.00005187411657
                   +1 :              -0.00000000000000
                   +2 :              -0.00001352359939
             27 vec=    -7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :               0.00024885032625
                   +0 :               0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :              -0.00002882755650
                   +0 :              -0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :              -0.00000601503806
                   -1 :              -0.00000878650446
                   +0 :               0.00000575720883
                   +1 :              -0.00001736942019
                   +2 :              -0.00000718398405
             28 vec=    -7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :               0.00024885032625
                   +0 :              -0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :              -0.00002882755650
                   +0 :               0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :              -0.00000601503806
                   -1 :               0.00000878650446
                   +0 :               0.00000575720883
                   +1 :               0.00001736942019
                   +2 :              -0.00000718398405
             29 vec=    -7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :              -0.00024885032625
                   +0 :               0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :               0.00002882755650
                   +0 :              -0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :               0.00000601503806
                   -1 :               0.00000878650446
                   +0 :               0.00000575720883
                   +1 :              -0.00001736942019
                   +2 :              -0.00000718398405
             30 vec=    -7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :               0.00003055345158
                2s
                   +0 :              -0.00054830048146
                3s
                   +0 :               0.00004927081055
                2p
                   -1 :              -0.00024885032625
                   +0 :              -0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :               0.00002882755650
                   +0 :               0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :               0.00000601503806
                   -1 :              -0.00000878650446
                   +0 :               0.00000575720883
                   +1 :               0.00001736942019
                   +2 :              -0.00000718398405
             31 vec=     7.146377     -7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :              -0.00024885032625
                   +0 :              -0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :               0.00002882755650
                   +0 :               0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :              -0.00000601503806
                   -1 :               0.00000878650446
                   +0 :              -0.00000575720883
                   +1 :              -0.00001736942019
                   +2 :               0.00000718398405
             32 vec=     7.146377     -7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :              -0.00024885032625
                   +0 :               0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :               0.00002882755650
                   +0 :              -0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :              -0.00000601503806
                   -1 :              -0.00000878650446
                   +0 :              -0.00000575720883
                   +1 :               0.00001736942019
                   +2 :               0.00000718398405
             33 vec=     7.146377      7.146377    -12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :               0.00024885032625
                   +0 :              -0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :              -0.00002882755650
                   +0 :               0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :               0.00000601503806
                   -1 :              -0.00000878650446
                   +0 :              -0.00000575720883
                   +1 :              -0.00001736942019
                   +2 :               0.00000718398405
             34 vec=     7.146377      7.146377     12.518207   |vec|=   16.088721
                1s
                   +0 :              -0.00003055345158
                2s
                   +0 :               0.00054830048146
                3s
                   +0 :              -0.00004927081055
                2p
                   -1 :               0.00024885032625
                   +0 :               0.00038695512966
                   +1 :               0.00019776010025
                3p
                   -1 :              -0.00002882755650
                   +0 :              -0.00002337373189
                   +1 :               0.00003516249347
                3d
                   -2 :               0.00000601503806
                   -1 :               0.00000878650446
                   +0 :              -0.00000575720883
                   +1 :               0.00001736942019
                   +2 :               0.00000718398405
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site O (  5)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.87314069092581
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.02607683737779
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00124704051328
                2s
                   +0 :              -0.00215169410809
                3s
                   +0 :              -0.00198116086703
                2p
                   -1 :               0.00000000000000
                   +1 :               0.01203351912424
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00123600677669
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00070560239640
                   +1 :              -0.00000000000000
                   +2 :               0.00120091219439
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00747405483442
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00139937505644
                3d
                   -2 :               0.00017300106628
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00747405483442
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00139937505644
                3d
                   -2 :              -0.00017300106628
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00124704051328
                2s
                   +0 :               0.00215169410809
                3s
                   +0 :               0.00198116086703
                2p
                   -1 :               0.00000000000000
                   +1 :               0.01203351912424
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00123600677669
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00070560239640
                   +1 :               0.00000000000000
                   +2 :              -0.00120091219439
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00089596049793
                2s
                   +0 :              -0.01089663325981
                3s
                   +0 :               0.00199874612942
                2p
                   -1 :               0.00541518221637
                   +0 :               0.00000000000000
                   +1 :               0.00837027975003
                3p
                   -1 :              -0.00109561310882
                   +1 :              -0.00133635716413
                3d
                   -2 :              -0.00037065544746
                   +0 :               0.00025566038213
                   +1 :              -0.00000000000000
                   +2 :              -0.00015760493822
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00089596049793
                2s
                   +0 :              -0.01089663325981
                3s
                   +0 :               0.00199874612942
                2p
                   -1 :              -0.00541518221637
                   +1 :               0.00837027975003
                3p
                   -1 :               0.00109561310882
                   +0 :               0.00000000000000
                   +1 :              -0.00133635716413
                3d
                   -2 :               0.00037065544746
                   -1 :               0.00000000000000
                   +0 :               0.00025566038213
                   +1 :               0.00000000000000
                   +2 :              -0.00015760493822
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00089596049793
                2s
                   +0 :               0.01089663325981
                3s
                   +0 :              -0.00199874612942
                2p
                   -1 :              -0.00541518221637
                   +1 :               0.00837027975003
                3p
                   -1 :               0.00109561310882
                   +0 :              -0.00000000000000
                   +1 :              -0.00133635716413
                3d
                   -2 :              -0.00037065544746
                   -1 :              -0.00000000000000
                   +0 :              -0.00025566038213
                   +1 :              -0.00000000000000
                   +2 :               0.00015760493822
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00089596049793
                2s
                   +0 :               0.01089663325981
                3s
                   +0 :              -0.00199874612942
                2p
                   -1 :               0.00541518221637
                   +1 :               0.00837027975003
                3p
                   -1 :              -0.00109561310882
                   +1 :              -0.00133635716413
                3d
                   -2 :               0.00037065544746
                   +0 :              -0.00025566038213
                   +1 :               0.00000000000000
                   +2 :               0.00015760493822
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :               0.00073345701749
                   +0 :               0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :               0.00007899405586
                   +0 :              -0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :               0.00000641932560
                   -1 :              -0.00004807773023
                   +0 :               0.00003938133160
                   +1 :               0.00000462399318
                   +2 :               0.00005200247543
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :               0.00073345701749
                   +0 :              -0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :               0.00007899405586
                   +0 :               0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :               0.00000641932560
                   -1 :               0.00004807773023
                   +0 :               0.00003938133160
                   +1 :              -0.00000462399318
                   +2 :               0.00005200247543
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :              -0.00073345701749
                   +0 :               0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :              -0.00007899405586
                   +0 :              -0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :              -0.00000641932560
                   -1 :               0.00004807773023
                   +0 :               0.00003938133160
                   +1 :               0.00000462399318
                   +2 :               0.00005200247543
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004141055019
                2s
                   +0 :              -0.00065028846801
                3s
                   +0 :               0.00001133453900
                2p
                   -1 :              -0.00073345701749
                   +0 :              -0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :              -0.00007899405586
                   +0 :               0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :              -0.00000641932560
                   -1 :              -0.00004807773023
                   +0 :               0.00003938133160
                   +1 :              -0.00000462399318
                   +2 :               0.00005200247543
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :              -0.00073345701749
                   +0 :              -0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :              -0.00007899405586
                   +0 :               0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :               0.00000641932560
                   -1 :               0.00004807773023
                   +0 :              -0.00003938133160
                   +1 :               0.00000462399318
                   +2 :              -0.00005200247543
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :              -0.00073345701749
                   +0 :               0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :              -0.00007899405586
                   +0 :              -0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :               0.00000641932560
                   -1 :              -0.00004807773023
                   +0 :              -0.00003938133160
                   +1 :              -0.00000462399318
                   +2 :              -0.00005200247543
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :               0.00073345701749
                   +0 :              -0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :               0.00007899405586
                   +0 :               0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :              -0.00000641932560
                   -1 :              -0.00004807773023
                   +0 :              -0.00003938133160
                   +1 :               0.00000462399318
                   +2 :              -0.00005200247543
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004141055019
                2s
                   +0 :               0.00065028846801
                3s
                   +0 :              -0.00001133453900
                2p
                   -1 :               0.00073345701749
                   +0 :               0.00045700622715
                   +1 :               0.00008016999168
                3p
                   -1 :               0.00007899405586
                   +0 :              -0.00000977838762
                   +1 :              -0.00011241169107
                3d
                   -2 :              -0.00000641932560
                   -1 :               0.00004807773023
                   +0 :              -0.00003938133160
                   +1 :              -0.00000462399318
                   +2 :              -0.00005200247543
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00002171681518
                2s
                   +0 :               0.00043447170948
                3s
                   +0 :               0.00002382574275
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00060469214182
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011762067681
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003261725949
                   +1 :               0.00000000000000
                   +2 :               0.00005689109668
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00019145400595
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002474503245
                3d
                   -2 :              -0.00001813206498
                   -1 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00019145400595
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002474503245
                3d
                   -2 :               0.00001813206498
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00002171681518
                2s
                   +0 :              -0.00043447170948
                3s
                   +0 :              -0.00002382574275
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00060469214182
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011762067681
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00003261725949
                   +1 :              -0.00000000000000
                   +2 :              -0.00005689109668
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00009273711397
                2s
                   +0 :               0.00087361850051
                3s
                   +0 :              -0.00025018737019
                2p
                   -1 :              -0.00034703152763
                   +0 :               0.00000000000000
                   +1 :              -0.00027322126532
                3p
                   -1 :               0.00009146536938
                   +0 :               0.00000000000000
                   +1 :               0.00010429805243
                3d
                   -2 :               0.00004429408861
                   -1 :              -0.00000000000000
                   +0 :              -0.00001219214170
                   +1 :               0.00000000000000
                   +2 :               0.00000774087990
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00009273711397
                2s
                   +0 :               0.00087361850051
                3s
                   +0 :              -0.00025018737019
                2p
                   -1 :               0.00034703152763
                   +0 :               0.00000000000000
                   +1 :              -0.00027322126532
                3p
                   -1 :              -0.00009146536938
                   +0 :               0.00000000000000
                   +1 :               0.00010429805243
                3d
                   -2 :              -0.00004429408861
                   -1 :               0.00000000000000
                   +0 :              -0.00001219214170
                   +1 :              -0.00000000000000
                   +2 :               0.00000774087990
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00004581671298
                2s
                   +0 :               0.00061521783356
                3s
                   +0 :              -0.00015889244649
                2p
                   -1 :              -0.00050688447910
                   +0 :               0.00000000000000
                   +1 :              -0.00038673164507
                3p
                   -1 :               0.00014127436871
                   +0 :              -0.00000000000000
                   +1 :               0.00005164995301
                3d
                   -2 :               0.00003092568598
                   -1 :              -0.00000000000000
                   +0 :              -0.00000608715687
                   +1 :               0.00000000000000
                   +2 :              -0.00001175409923
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00004581671298
                2s
                   +0 :               0.00061521783356
                3s
                   +0 :              -0.00015889244649
                2p
                   -1 :               0.00050688447910
                   +0 :               0.00000000000000
                   +1 :              -0.00038673164507
                3p
                   -1 :              -0.00014127436871
                   +0 :              -0.00000000000000
                   +1 :               0.00005164995301
                3d
                   -2 :              -0.00003092568598
                   -1 :               0.00000000000000
                   +0 :              -0.00000608715687
                   +1 :               0.00000000000000
                   +2 :              -0.00001175409923
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00004581671298
                2s
                   +0 :              -0.00061521783356
                3s
                   +0 :               0.00015889244649
                2p
                   -1 :               0.00050688447910
                   +0 :              -0.00000000000000
                   +1 :              -0.00038673164507
                3p
                   -1 :              -0.00014127436871
                   +0 :              -0.00000000000000
                   +1 :               0.00005164995301
                3d
                   -2 :               0.00003092568598
                   -1 :              -0.00000000000000
                   +0 :               0.00000608715687
                   +1 :              -0.00000000000000
                   +2 :               0.00001175409923
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00004581671298
                2s
                   +0 :              -0.00061521783356
                3s
                   +0 :               0.00015889244649
                2p
                   -1 :              -0.00050688447910
                   +1 :              -0.00038673164507
                3p
                   -1 :               0.00014127436871
                   +0 :              -0.00000000000000
                   +1 :               0.00005164995301
                3d
                   -2 :              -0.00003092568598
                   -1 :              -0.00000000000000
                   +0 :               0.00000608715687
                   +1 :              -0.00000000000000
                   +2 :               0.00001175409923
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00009273711397
                2s
                   +0 :              -0.00087361850051
                3s
                   +0 :               0.00025018737019
                2p
                   -1 :               0.00034703152763
                   +0 :              -0.00000000000000
                   +1 :              -0.00027322126532
                3p
                   -1 :              -0.00009146536938
                   +0 :               0.00000000000000
                   +1 :               0.00010429805243
                3d
                   -2 :               0.00004429408861
                   -1 :              -0.00000000000000
                   +0 :               0.00001219214170
                   +1 :               0.00000000000000
                   +2 :              -0.00000774087990
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00009273711397
                2s
                   +0 :              -0.00087361850051
                3s
                   +0 :               0.00025018737019
                2p
                   -1 :              -0.00034703152763
                   +1 :              -0.00027322126532
                3p
                   -1 :               0.00009146536938
                   +0 :               0.00000000000000
                   +1 :               0.00010429805243
                3d
                   -2 :              -0.00004429408861
                   -1 :               0.00000000000000
                   +0 :               0.00001219214170
                   +1 :              -0.00000000000000
                   +2 :              -0.00000774087990
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :               0.00005937997504
                   +0 :               0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :              -0.00005915915258
                   +0 :              -0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :              -0.00001170924236
                   -1 :               0.00001486566915
                   +0 :               0.00000334710338
                   +1 :              -0.00001273784423
                   +2 :              -0.00001071535837
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :               0.00005937997504
                   +0 :              -0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :              -0.00005915915258
                   +0 :               0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :              -0.00001170924236
                   -1 :              -0.00001486566915
                   +0 :               0.00000334710338
                   +1 :               0.00001273784423
                   +2 :              -0.00001071535837
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :              -0.00005937997504
                   +0 :               0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :               0.00005915915258
                   +0 :              -0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :               0.00001170924236
                   -1 :              -0.00001486566915
                   +0 :               0.00000334710338
                   +1 :              -0.00001273784423
                   +2 :              -0.00001071535837
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001365657264
                2s
                   +0 :              -0.00021433778360
                3s
                   +0 :               0.00004869520519
                2p
                   -1 :              -0.00005937997504
                   +0 :              -0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :               0.00005915915258
                   +0 :               0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :               0.00001170924236
                   -1 :               0.00001486566915
                   +0 :               0.00000334710338
                   +1 :               0.00001273784423
                   +2 :              -0.00001071535837
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :               0.00009554926756
                   +0 :              -0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :               0.00004239177589
                   +0 :               0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :               0.00000339273258
                   -1 :              -0.00002181193323
                   +0 :               0.00000998746072
                   +1 :               0.00000231851935
                   +2 :               0.00001625815101
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :               0.00009554926756
                   +0 :               0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :               0.00004239177589
                   +0 :              -0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :               0.00000339273258
                   -1 :               0.00002181193323
                   +0 :               0.00000998746072
                   +1 :              -0.00000231851935
                   +2 :               0.00001625815101
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :              -0.00009554926756
                   +0 :              -0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :              -0.00004239177589
                   +0 :               0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :              -0.00000339273258
                   -1 :               0.00002181193323
                   +0 :               0.00000998746072
                   +1 :               0.00000231851935
                   +2 :               0.00001625815101
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000871744987
                2s
                   +0 :               0.00005632675834
                3s
                   +0 :              -0.00008039953011
                2p
                   -1 :              -0.00009554926756
                   +0 :               0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :              -0.00004239177589
                   +0 :              -0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :              -0.00000339273258
                   -1 :              -0.00002181193323
                   +0 :               0.00000998746072
                   +1 :              -0.00000231851935
                   +2 :               0.00001625815101
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :              -0.00009554926756
                   +0 :               0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :              -0.00004239177589
                   +0 :              -0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :               0.00000339273258
                   -1 :               0.00002181193323
                   +0 :              -0.00000998746072
                   +1 :               0.00000231851935
                   +2 :              -0.00001625815101
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :              -0.00009554926756
                   +0 :              -0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :              -0.00004239177589
                   +0 :               0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :               0.00000339273258
                   -1 :              -0.00002181193323
                   +0 :              -0.00000998746072
                   +1 :              -0.00000231851935
                   +2 :              -0.00001625815101
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :               0.00009554926756
                   +0 :               0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :               0.00004239177589
                   +0 :              -0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :              -0.00000339273258
                   -1 :              -0.00002181193323
                   +0 :              -0.00000998746072
                   +1 :               0.00000231851935
                   +2 :              -0.00001625815101
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000871744987
                2s
                   +0 :              -0.00005632675834
                3s
                   +0 :               0.00008039953011
                2p
                   -1 :               0.00009554926756
                   +0 :              -0.00004973171129
                   +1 :              -0.00014196827947
                3p
                   -1 :               0.00004239177589
                   +0 :               0.00004834429416
                   +1 :               0.00000867388515
                3d
                   -2 :              -0.00000339273258
                   -1 :               0.00002181193323
                   +0 :              -0.00000998746072
                   +1 :              -0.00000231851935
                   +2 :              -0.00001625815101
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :              -0.00005937997504
                   +0 :              -0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :               0.00005915915258
                   +0 :               0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :              -0.00001170924236
                   -1 :              -0.00001486566915
                   +0 :              -0.00000334710338
                   +1 :              -0.00001273784423
                   +2 :               0.00001071535837
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :              -0.00005937997504
                   +0 :               0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :               0.00005915915258
                   +0 :              -0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :              -0.00001170924236
                   -1 :               0.00001486566915
                   +0 :              -0.00000334710338
                   +1 :               0.00001273784423
                   +2 :               0.00001071535837
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :               0.00005937997504
                   +0 :              -0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :              -0.00005915915258
                   +0 :               0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :               0.00001170924236
                   -1 :               0.00001486566915
                   +0 :              -0.00000334710338
                   +1 :              -0.00001273784423
                   +2 :               0.00001071535837
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001365657264
                2s
                   +0 :               0.00021433778360
                3s
                   +0 :              -0.00004869520519
                2p
                   -1 :               0.00005937997504
                   +0 :               0.00014758821145
                   +1 :               0.00012482967791
                3p
                   -1 :              -0.00005915915258
                   +0 :              -0.00005415480410
                   +1 :               0.00005021239475
                3d
                   -2 :               0.00001170924236
                   -1 :              -0.00001486566915
                   +0 :              -0.00000334710338
                   +1 :               0.00001273784423
                   +2 :               0.00001071535837
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site O (  6)  npairs=  34
              1 vec=    -3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00123699422540
                2s
                   +0 :              -0.03326756860640
                3s
                   +0 :               0.00234316170308
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.02911158377873
                   +1 :               0.01197718399592
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00408839262293
                   +1 :              -0.00169175942291
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00105576495930
                   +1 :               0.00100452223670
                   +2 :              -0.00053469212197
              2 vec=     3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00123699422540
                2s
                   +0 :               0.03326756860640
                3s
                   +0 :              -0.00234316170308
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02911158377873
                   +1 :               0.01197718399592
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00408839262293
                   +1 :              -0.00169175942291
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00105576495930
                   +1 :               0.00100452223670
                   +2 :               0.00053469212197
              3 vec=     0.000000     -3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00402165906390
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00047804210397
                3d
                   -2 :              -0.00000957202288
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00011397935596
                   +2 :              -0.00000000000000
              4 vec=     0.000000      3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00402165906390
                3p
                   -1 :              -0.00000000000000
                   +1 :              -0.00047804210397
                3d
                   -2 :               0.00000957202288
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00011397935596
                   +2 :              -0.00000000000000
              5 vec=    -3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :              -0.00215274991470
                   +0 :              -0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :               0.00004372358228
                   +0 :               0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :               0.00009901446107
                   -1 :               0.00008685121868
                   +0 :              -0.00021047063504
                   +1 :              -0.00011561818602
                   +2 :              -0.00004609308723
              6 vec=    -3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :               0.00215274991470
                   +0 :              -0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :              -0.00004372358228
                   +0 :               0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :              -0.00009901446107
                   -1 :              -0.00008685121868
                   +0 :              -0.00021047063504
                   +1 :              -0.00011561818602
                   +2 :              -0.00004609308723
              7 vec=     3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :               0.00215274991470
                   +0 :               0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :              -0.00004372358228
                   +0 :              -0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :               0.00009901446107
                   -1 :              -0.00008685121868
                   +0 :               0.00021047063504
                   +1 :              -0.00011561818602
                   +2 :               0.00004609308723
              8 vec=     3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :              -0.00215274991470
                   +0 :               0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :               0.00004372358228
                   +0 :              -0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :              -0.00009901446107
                   -1 :               0.00008685121868
                   +0 :               0.00021047063504
                   +1 :              -0.00011561818602
                   +2 :               0.00004609308723
              9 vec=    -7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :               0.00161623458569
                   +0 :               0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :              -0.00004605314655
                   +0 :              -0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :              -0.00000965938515
                   -1 :              -0.00013448329437
                   +0 :               0.00004316894165
                   +1 :              -0.00007603629066
                   +2 :               0.00000030721953
             10 vec=    -7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :              -0.00161623458569
                   +0 :               0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :               0.00004605314655
                   +0 :              -0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :               0.00000965938515
                   -1 :               0.00013448329437
                   +0 :               0.00004316894165
                   +1 :              -0.00007603629066
                   +2 :               0.00000030721953
             11 vec=     7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :              -0.00161623458569
                   +0 :              -0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :               0.00004605314655
                   +0 :               0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :              -0.00000965938515
                   -1 :               0.00013448329437
                   +0 :              -0.00004316894165
                   +1 :              -0.00007603629066
                   +2 :              -0.00000030721953
             12 vec=     7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :               0.00161623458569
                   +0 :              -0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :              -0.00004605314655
                   +0 :               0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :               0.00000965938515
                   -1 :              -0.00013448329437
                   +0 :              -0.00004316894165
                   +1 :              -0.00007603629066
                   +2 :              -0.00000030721953
             13 vec=   -10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000873214364
                2s
                   +0 :              -0.00020016209856
                3s
                   +0 :               0.00029693947399
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00111553988825
                   +1 :               0.00197574932540
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006997622617
                   +1 :              -0.00038139056067
                3d
                   -1 :               0.00000000000000
                   +0 :               0.00011099333134
                   +1 :              -0.00010044418224
                   +2 :              -0.00000768740707
             14 vec=    10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000873214364
                2s
                   +0 :               0.00020016209856
                3s
                   +0 :              -0.00029693947399
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00111553988825
                   +1 :               0.00197574932540
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00006997622617
                   +1 :              -0.00038139056067
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011099333134
                   +1 :              -0.00010044418224
                   +2 :               0.00000768740707
             15 vec=     0.000000    -10.719566     -7.951565   |vec|=   13.346778
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00059385770395
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006539318464
                3d
                   -2 :               0.00000044328781
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004087074871
                   +2 :               0.00000000000000
             16 vec=     0.000000     10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00059385770395
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006539318464
                3d
                   -2 :              -0.00000044328781
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004087074871
                   +2 :               0.00000000000000
             17 vec=   -10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :               0.00043779943877
                   +0 :              -0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :              -0.00010618501425
                   +0 :              -0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :               0.00003992927373
                   -1 :              -0.00004169700506
                   +0 :              -0.00005654182245
                   +1 :               0.00002667947750
                   +2 :               0.00004296264968
             18 vec=   -10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :              -0.00043779943877
                   +0 :              -0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :               0.00010618501425
                   +0 :              -0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :              -0.00003992927373
                   -1 :               0.00004169700506
                   +0 :              -0.00005654182245
                   +1 :               0.00002667947750
                   +2 :               0.00004296264968
             19 vec=    10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :              -0.00043779943877
                   +0 :               0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :               0.00010618501425
                   +0 :               0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :               0.00003992927373
                   -1 :               0.00004169700506
                   +0 :               0.00005654182245
                   +1 :               0.00002667947750
                   +2 :              -0.00004296264968
             20 vec=    10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :               0.00043779943877
                   +0 :               0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :              -0.00010618501425
                   +0 :               0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :              -0.00003992927373
                   -1 :              -0.00004169700506
                   +0 :               0.00005654182245
                   +1 :               0.00002667947750
                   +2 :              -0.00004296264968
             21 vec=    -7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :              -0.00060190539600
                   +0 :               0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :               0.00007534753646
                   +0 :              -0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :               0.00000224466211
                   -1 :               0.00000959533019
                   +0 :              -0.00000587482405
                   +1 :              -0.00001921364825
                   +2 :              -0.00001112265524
             22 vec=    -7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :               0.00060190539600
                   +0 :               0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :              -0.00007534753646
                   +0 :              -0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :              -0.00000224466211
                   -1 :              -0.00000959533019
                   +0 :              -0.00000587482405
                   +1 :              -0.00001921364825
                   +2 :              -0.00001112265524
             23 vec=     7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :               0.00060190539600
                   +0 :              -0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :              -0.00007534753646
                   +0 :               0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :               0.00000224466211
                   -1 :              -0.00000959533019
                   +0 :               0.00000587482405
                   +1 :              -0.00001921364825
                   +2 :               0.00001112265524
             24 vec=     7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :              -0.00060190539600
                   +0 :              -0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :               0.00007534753646
                   +0 :               0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :              -0.00000224466211
                   -1 :               0.00000959533019
                   +0 :               0.00000587482405
                   +1 :              -0.00001921364825
                   +2 :               0.00001112265524
             25 vec=    -3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :               0.00057879406119
                   +0 :               0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :              -0.00014272145994
                   +0 :              -0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :               0.00001055068367
                   -1 :              -0.00002651242532
                   +0 :               0.00001377358377
                   +1 :               0.00000445804998
                   +2 :               0.00000698756641
             26 vec=    -3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :              -0.00057879406119
                   +0 :               0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :               0.00014272145994
                   +0 :              -0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :              -0.00001055068367
                   -1 :               0.00002651242532
                   +0 :               0.00001377358377
                   +1 :               0.00000445804998
                   +2 :               0.00000698756641
             27 vec=     3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :              -0.00057879406119
                   +0 :              -0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :               0.00014272145994
                   +0 :               0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :               0.00001055068367
                   -1 :               0.00002651242532
                   +0 :              -0.00001377358377
                   +1 :               0.00000445804998
                   +2 :              -0.00000698756641
             28 vec=     3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :               0.00057879406119
                   +0 :              -0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :              -0.00014272145994
                   +0 :               0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :              -0.00001055068367
                   -1 :              -0.00002651242532
                   +0 :              -0.00001377358377
                   +1 :               0.00000445804998
                   +2 :              -0.00000698756641
             29 vec=   -14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :              -0.00025898621820
                   +0 :              -0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :               0.00003831645732
                   +0 :               0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :              -0.00000609981550
                   -1 :               0.00001588480482
                   +0 :               0.00000482997812
                   +1 :              -0.00000399291448
                   +2 :              -0.00000245419691
             30 vec=   -14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :               0.00025898621820
                   +0 :              -0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :              -0.00003831645732
                   +0 :               0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :               0.00000609981550
                   -1 :              -0.00001588480482
                   +0 :               0.00000482997812
                   +1 :              -0.00000399291448
                   +2 :              -0.00000245419691
             31 vec=    14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :               0.00025898621820
                   +0 :               0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :              -0.00003831645732
                   +0 :              -0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :              -0.00000609981550
                   -1 :              -0.00001588480482
                   +0 :              -0.00000482997812
                   +1 :              -0.00000399291448
                   +2 :               0.00000245419691
             32 vec=    14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :              -0.00025898621820
                   +0 :               0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :               0.00003831645732
                   +0 :              -0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :               0.00000609981550
                   -1 :               0.00001588480482
                   +0 :              -0.00000482997812
                   +1 :              -0.00000399291448
                   +2 :               0.00000245419691
             33 vec=     0.000000     -3.573189     17.084849   |vec|=   17.454505
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :              -0.00001307046897
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003640321106
                3d
                   -2 :               0.00000947312084
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000676954790
                   +2 :               0.00000000000000
             34 vec=     0.000000      3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001307046897
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003640321106
                3d
                   -2 :              -0.00000947312084
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000676954790
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 11)=[O 2p1]  to site O (  7)  npairs=  34
              1 vec=    -3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00123699422540
                2s
                   +0 :              -0.03326756860640
                3s
                   +0 :               0.00234316170308
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02911158377873
                   +1 :               0.01197718399592
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00408839262293
                   +1 :              -0.00169175942291
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00105576495930
                   +1 :              -0.00100452223670
                   +2 :              -0.00053469212197
              2 vec=     3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00123699422540
                2s
                   +0 :               0.03326756860640
                3s
                   +0 :              -0.00234316170308
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.02911158377873
                   +1 :               0.01197718399592
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00408839262293
                   +1 :              -0.00169175942291
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00105576495930
                   +1 :              -0.00100452223670
                   +2 :               0.00053469212197
              3 vec=     0.000000     -3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00402165906390
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00047804210397
                3d
                   -2 :              -0.00000957202288
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00011397935596
                   +2 :               0.00000000000000
              4 vec=     0.000000      3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00402165906390
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00047804210397
                3d
                   -2 :               0.00000957202288
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011397935596
                   +2 :               0.00000000000000
              5 vec=    -3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :              -0.00215274991470
                   +0 :               0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :               0.00004372358228
                   +0 :              -0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :               0.00009901446107
                   -1 :              -0.00008685121868
                   +0 :              -0.00021047063504
                   +1 :               0.00011561818602
                   +2 :              -0.00004609308723
              6 vec=    -3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00005806441393
                2s
                   +0 :               0.00181036658606
                3s
                   +0 :              -0.00012896921675
                2p
                   -1 :               0.00215274991470
                   +0 :               0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :              -0.00004372358228
                   +0 :              -0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :              -0.00009901446107
                   -1 :               0.00008685121868
                   +0 :              -0.00021047063504
                   +1 :               0.00011561818602
                   +2 :              -0.00004609308723
              7 vec=     3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :               0.00215274991470
                   +0 :              -0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :              -0.00004372358228
                   +0 :               0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :               0.00009901446107
                   -1 :               0.00008685121868
                   +0 :               0.00021047063504
                   +1 :               0.00011561818602
                   +2 :               0.00004609308723
              8 vec=     3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00005806441393
                2s
                   +0 :              -0.00181036658606
                3s
                   +0 :               0.00012896921675
                2p
                   -1 :              -0.00215274991470
                   +0 :              -0.00246259626471
                   +1 :              -0.00190358921607
                3p
                   -1 :               0.00004372358228
                   +0 :               0.00027884080051
                   +1 :               0.00032992690200
                3d
                   -2 :              -0.00009901446107
                   -1 :              -0.00008685121868
                   +0 :               0.00021047063504
                   +1 :               0.00011561818602
                   +2 :               0.00004609308723
              9 vec=    -7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :               0.00161623458569
                   +0 :              -0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :              -0.00004605314655
                   +0 :               0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :              -0.00000965938515
                   -1 :               0.00013448329437
                   +0 :               0.00004316894165
                   +1 :               0.00007603629066
                   +2 :               0.00000030721953
             10 vec=    -7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00008932074761
                2s
                   +0 :              -0.00071609376581
                3s
                   +0 :               0.00029326624028
                2p
                   -1 :              -0.00161623458569
                   +0 :              -0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :               0.00004605314655
                   +0 :               0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :               0.00000965938515
                   -1 :              -0.00013448329437
                   +0 :               0.00004316894165
                   +1 :               0.00007603629066
                   +2 :               0.00000030721953
             11 vec=     7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :              -0.00161623458569
                   +0 :               0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :               0.00004605314655
                   +0 :              -0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :              -0.00000965938515
                   -1 :              -0.00013448329437
                   +0 :              -0.00004316894165
                   +1 :               0.00007603629066
                   +2 :              -0.00000030721953
             12 vec=     7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00008932074761
                2s
                   +0 :               0.00071609376581
                3s
                   +0 :              -0.00029326624028
                2p
                   -1 :               0.00161623458569
                   +0 :               0.00219132266351
                   +1 :              -0.00109750731920
                3p
                   -1 :              -0.00004605314655
                   +0 :              -0.00053653147162
                   +1 :               0.00035006950637
                3d
                   -2 :               0.00000965938515
                   -1 :               0.00013448329437
                   +0 :              -0.00004316894165
                   +1 :               0.00007603629066
                   +2 :              -0.00000030721953
             13 vec=   -10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000873214364
                2s
                   +0 :              -0.00020016209856
                3s
                   +0 :               0.00029693947399
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00111553988825
                   +1 :               0.00197574932540
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00006997622617
                   +1 :              -0.00038139056067
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00011099333134
                   +1 :               0.00010044418224
                   +2 :              -0.00000768740707
             14 vec=    10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000873214364
                2s
                   +0 :               0.00020016209856
                3s
                   +0 :              -0.00029693947399
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00111553988825
                   +1 :               0.00197574932540
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00006997622617
                   +1 :              -0.00038139056067
                3d
                   -1 :              -0.00000000000000
                   +0 :              -0.00011099333134
                   +1 :               0.00010044418224
                   +2 :               0.00000768740707
             15 vec=     0.000000    -10.719566      7.951565   |vec|=   13.346778
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00059385770395
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006539318464
                3d
                   -2 :               0.00000044328781
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00004087074871
                   +2 :              -0.00000000000000
             16 vec=     0.000000     10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00059385770395
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006539318464
                3d
                   -2 :              -0.00000044328781
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004087074871
                   +2 :              -0.00000000000000
             17 vec=   -10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :               0.00043779943877
                   +0 :               0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :              -0.00010618501425
                   +0 :               0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :               0.00003992927373
                   -1 :               0.00004169700506
                   +0 :              -0.00005654182245
                   +1 :              -0.00002667947750
                   +2 :               0.00004296264968
             18 vec=   -10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00001269015858
                2s
                   +0 :              -0.00011755290328
                3s
                   +0 :               0.00008896037544
                2p
                   -1 :              -0.00043779943877
                   +0 :               0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :               0.00010618501425
                   +0 :               0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :              -0.00003992927373
                   -1 :              -0.00004169700506
                   +0 :              -0.00005654182245
                   +1 :              -0.00002667947750
                   +2 :               0.00004296264968
             19 vec=    10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :              -0.00043779943877
                   +0 :              -0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :               0.00010618501425
                   +0 :              -0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :               0.00003992927373
                   -1 :              -0.00004169700506
                   +0 :               0.00005654182245
                   +1 :              -0.00002667947750
                   +2 :              -0.00004296264968
             20 vec=    10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00001269015858
                2s
                   +0 :               0.00011755290328
                3s
                   +0 :              -0.00008896037544
                2p
                   -1 :               0.00043779943877
                   +0 :              -0.00051954457519
                   +1 :              -0.00003970248433
                3p
                   -1 :              -0.00010618501425
                   +0 :              -0.00002050861441
                   +1 :              -0.00030293530465
                3d
                   -2 :              -0.00003992927373
                   -1 :               0.00004169700506
                   +0 :               0.00005654182245
                   +1 :              -0.00002667947750
                   +2 :              -0.00004296264968
             21 vec=    -7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :              -0.00060190539600
                   +0 :              -0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :               0.00007534753646
                   +0 :               0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :               0.00000224466211
                   -1 :              -0.00000959533019
                   +0 :              -0.00000587482405
                   +1 :               0.00001921364825
                   +2 :              -0.00001112265524
             22 vec=    -7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00001677611606
                2s
                   +0 :              -0.00017406434383
                3s
                   +0 :               0.00005269813960
                2p
                   -1 :               0.00060190539600
                   +0 :              -0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :              -0.00007534753646
                   +0 :               0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :              -0.00000224466211
                   -1 :               0.00000959533019
                   +0 :              -0.00000587482405
                   +1 :               0.00001921364825
                   +2 :              -0.00001112265524
             23 vec=     7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :               0.00060190539600
                   +0 :               0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :              -0.00007534753646
                   +0 :              -0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :               0.00000224466211
                   -1 :               0.00000959533019
                   +0 :               0.00000587482405
                   +1 :               0.00001921364825
                   +2 :               0.00001112265524
             24 vec=     7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00001677611606
                2s
                   +0 :               0.00017406434383
                3s
                   +0 :              -0.00005269813960
                2p
                   -1 :              -0.00060190539600
                   +0 :               0.00035459544563
                   +1 :               0.00036873713567
                3p
                   -1 :               0.00007534753646
                   +0 :              -0.00012479589413
                   +1 :              -0.00004794867850
                3d
                   -2 :              -0.00000224466211
                   -1 :              -0.00000959533019
                   +0 :               0.00000587482405
                   +1 :               0.00001921364825
                   +2 :               0.00001112265524
             25 vec=    -3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :               0.00057879406119
                   +0 :              -0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :              -0.00014272145994
                   +0 :               0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :               0.00001055068367
                   -1 :               0.00002651242532
                   +0 :               0.00001377358377
                   +1 :              -0.00000445804998
                   +2 :               0.00000698756641
             26 vec=    -3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00001999287409
                2s
                   +0 :              -0.00042937518303
                3s
                   +0 :               0.00013921866982
                2p
                   -1 :              -0.00057879406119
                   +0 :              -0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :               0.00014272145994
                   +0 :               0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :              -0.00001055068367
                   -1 :              -0.00002651242532
                   +0 :               0.00001377358377
                   +1 :              -0.00000445804998
                   +2 :               0.00000698756641
             27 vec=     3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :              -0.00057879406119
                   +0 :               0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :               0.00014272145994
                   +0 :              -0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :               0.00001055068367
                   -1 :              -0.00002651242532
                   +0 :              -0.00001377358377
                   +1 :              -0.00000445804998
                   +2 :              -0.00000698756641
             28 vec=     3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00001999287409
                2s
                   +0 :               0.00042937518303
                3s
                   +0 :              -0.00013921866982
                2p
                   -1 :               0.00057879406119
                   +0 :               0.00022255751367
                   +1 :              -0.00009758168835
                3p
                   -1 :              -0.00014272145994
                   +0 :              -0.00001920009915
                   +1 :              -0.00003201434755
                3d
                   -2 :              -0.00001055068367
                   -1 :               0.00002651242532
                   +0 :              -0.00001377358377
                   +1 :              -0.00000445804998
                   +2 :              -0.00000698756641
             29 vec=   -14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :              -0.00025898621820
                   +0 :               0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :               0.00003831645732
                   +0 :              -0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :              -0.00000609981550
                   -1 :              -0.00001588480482
                   +0 :               0.00000482997812
                   +1 :               0.00000399291448
                   +2 :              -0.00000245419691
             30 vec=   -14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00000285368923
                2s
                   +0 :              -0.00003455791488
                3s
                   +0 :              -0.00001695056980
                2p
                   -1 :               0.00025898621820
                   +0 :               0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :              -0.00003831645732
                   +0 :              -0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :               0.00000609981550
                   -1 :               0.00001588480482
                   +0 :               0.00000482997812
                   +1 :               0.00000399291448
                   +2 :              -0.00000245419691
             31 vec=    14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :               0.00025898621820
                   +0 :              -0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :              -0.00003831645732
                   +0 :               0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :              -0.00000609981550
                   -1 :               0.00001588480482
                   +0 :              -0.00000482997812
                   +1 :               0.00000399291448
                   +2 :               0.00000245419691
             32 vec=    14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00000285368923
                2s
                   +0 :               0.00003455791488
                3s
                   +0 :               0.00001695056980
                2p
                   -1 :              -0.00025898621820
                   +0 :              -0.00005166762782
                   +1 :               0.00023264954919
                3p
                   -1 :               0.00003831645732
                   +0 :               0.00003476653155
                   +1 :              -0.00001461499379
                3d
                   -2 :               0.00000609981550
                   -1 :              -0.00001588480482
                   +0 :              -0.00000482997812
                   +1 :               0.00000399291448
                   +2 :               0.00000245419691
             33 vec=     0.000000     -3.573189    -17.084849   |vec|=   17.454505
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001307046897
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003640321106
                3d
                   -2 :               0.00000947312084
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000676954790
                   +2 :              -0.00000000000000
             34 vec=     0.000000      3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :              -0.00001307046897
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003640321106
                3d
                   -2 :              -0.00000947312084
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000676954790
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site La(  1)  npairs=  41
              1 vec=     0.000000      0.000000      4.446467   |vec|=    4.446467
                5p
                   -1 :               0.06423488351347
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.10173324011595
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00926686221903
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00686599877851
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00287433085267
                   -2 :               0.00000000000000
                   -1 :               0.05840111411616
                   +1 :              -0.00000000000000
                   +3 :               0.00000000000000
              2 vec=    -7.146377      0.000000      4.446467   |vec|=    8.416756
                5p
                   -1 :               0.00162304590006
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00242784371703
                   -1 :              -0.00177887164828
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00028805989271
                   -1 :               0.00099788635188
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00030204450756
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005529025623
                   -2 :              -0.00024543726916
                   -1 :              -0.00041546490457
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
              3 vec=     0.000000     -7.146377      4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00156926056906
                5p
                   -1 :              -0.00173749920537
                   +0 :               0.00092294705129
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00588515154313
                7s
                   +0 :              -0.00147221718903
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00676063706036
                   +0 :              -0.00033063720713
                   +1 :              -0.00000000000000
                   +2 :               0.00049939821970
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00478536183309
                   +0 :               0.00112190422527
                   +1 :               0.00000000000000
                   +2 :              -0.00183278833449
                6p
                   -1 :              -0.00098483733367
                   +0 :               0.00153210896897
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00003734056875
                   -2 :              -0.00000000000000
                   -1 :              -0.00025312297381
                   +0 :              -0.00039968143563
                   +1 :               0.00000000000000
                   +2 :               0.00023779186312
                   +3 :              -0.00000000000000
              4 vec=     0.000000      7.146377      4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00156926056906
                5p
                   -1 :              -0.00173749920537
                   +0 :              -0.00092294705129
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00588515154313
                7s
                   +0 :               0.00147221718903
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00676063706036
                   +0 :               0.00033063720713
                   +1 :              -0.00000000000000
                   +2 :              -0.00049939821970
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00478536183309
                   +0 :              -0.00112190422527
                   +1 :               0.00000000000000
                   +2 :               0.00183278833449
                6p
                   -1 :              -0.00098483733367
                   +0 :              -0.00153210896897
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00003734056875
                   -2 :              -0.00000000000000
                   -1 :              -0.00025312297381
                   +0 :               0.00039968143563
                   +1 :               0.00000000000000
                   +2 :              -0.00023779186312
                   +3 :               0.00000000000000
              5 vec=     7.146377      0.000000      4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00162304590006
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00242784371703
                   -1 :              -0.00177887164828
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00028805989271
                   -1 :               0.00099788635188
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00030204450756
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005529025623
                   -2 :               0.00024543726916
                   -1 :              -0.00041546490457
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              6 vec=    -3.573189     -3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :               0.00034395743770
                   +1 :              -0.00076200262633
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :              -0.00093911973712
                   +0 :               0.00187883008042
                   +1 :              -0.00186077477119
                   +2 :              -0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :              -0.00000061940935
                   +0 :              -0.00041286554547
                   +1 :              -0.00013633198176
                   +2 :              -0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :              -0.00020961243973
                   +1 :              -0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :               0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :               0.00125601009783
                   +1 :              -0.00036529986384
                   +2 :              -0.00068264512012
                   +3 :              -0.00015779358523
              7 vec=    -3.573189      3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :              -0.00034395743770
                   +1 :               0.00076200262633
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :              -0.00093911973712
                   +0 :              -0.00187883008042
                   +1 :               0.00186077477119
                   +2 :               0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :              -0.00000061940935
                   +0 :               0.00041286554547
                   +1 :               0.00013633198176
                   +2 :               0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :               0.00020961243973
                   +1 :               0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :               0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :              -0.00125601009783
                   +1 :               0.00036529986384
                   +2 :               0.00068264512012
                   +3 :               0.00015779358523
              8 vec=     3.573189     -3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :               0.00034395743770
                   +1 :               0.00076200262633
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :              -0.00093911973712
                   +0 :               0.00187883008042
                   +1 :               0.00186077477119
                   +2 :              -0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :              -0.00000061940935
                   +0 :              -0.00041286554547
                   +1 :               0.00013633198176
                   +2 :              -0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :              -0.00020961243973
                   +1 :               0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :              -0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :               0.00125601009783
                   +1 :               0.00036529986384
                   +2 :              -0.00068264512012
                   +3 :               0.00015779358523
              9 vec=     3.573189      3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :              -0.00034395743770
                   +1 :              -0.00076200262633
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :              -0.00093911973712
                   +0 :              -0.00187883008042
                   +1 :              -0.00186077477119
                   +2 :               0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :              -0.00000061940935
                   +0 :               0.00041286554547
                   +1 :              -0.00013633198176
                   +2 :               0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :               0.00020961243973
                   +1 :              -0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :              -0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :              -0.00125601009783
                   +1 :              -0.00036529986384
                   +2 :               0.00068264512012
                   +3 :              -0.00015779358523
             10 vec=    -7.146377     -7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :               0.00035659795250
                   +1 :              -0.00131121024457
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :               0.00036754792223
                   +0 :               0.00151151593558
                   +1 :              -0.00019542324443
                   +2 :              -0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :              -0.00067829676413
                   +0 :              -0.00014668510794
                   +1 :               0.00005960073864
                   +2 :               0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :               0.00031597825036
                   +1 :              -0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :               0.00114343686994
                   -1 :               0.00193134017014
                   +0 :              -0.00038515067323
                   +1 :               0.00195898741525
                   +2 :               0.00053564333222
                   +3 :               0.00089021872414
             11 vec=    -7.146377      7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :              -0.00035659795250
                   +1 :               0.00131121024457
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :               0.00036754792223
                   +0 :              -0.00151151593558
                   +1 :               0.00019542324443
                   +2 :               0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :              -0.00067829676413
                   +0 :               0.00014668510794
                   +1 :              -0.00005960073864
                   +2 :              -0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :              -0.00031597825036
                   +1 :               0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :               0.00114343686994
                   -1 :               0.00193134017014
                   +0 :               0.00038515067323
                   +1 :              -0.00195898741525
                   +2 :              -0.00053564333222
                   +3 :              -0.00089021872414
             12 vec=     7.146377     -7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :               0.00035659795250
                   +1 :               0.00131121024457
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :               0.00036754792223
                   +0 :               0.00151151593558
                   +1 :               0.00019542324443
                   +2 :              -0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :              -0.00067829676413
                   +0 :              -0.00014668510794
                   +1 :              -0.00005960073864
                   +2 :               0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :               0.00031597825036
                   +1 :               0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :              -0.00114343686994
                   -1 :               0.00193134017014
                   +0 :              -0.00038515067323
                   +1 :              -0.00195898741525
                   +2 :               0.00053564333222
                   +3 :              -0.00089021872414
             13 vec=     7.146377      7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :              -0.00035659795250
                   +1 :              -0.00131121024457
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :               0.00036754792223
                   +0 :              -0.00151151593558
                   +1 :              -0.00019542324443
                   +2 :               0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :              -0.00067829676413
                   +0 :               0.00014668510794
                   +1 :               0.00005960073864
                   +2 :              -0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :              -0.00031597825036
                   +1 :              -0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :              -0.00114343686994
                   -1 :               0.00193134017014
                   +0 :               0.00038515067323
                   +1 :               0.00195898741525
                   +2 :              -0.00053564333222
                   +3 :               0.00089021872414
             14 vec=   -10.719566     -3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :              -0.00055579038715
                   +1 :              -0.00078957035185
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :               0.00009777446845
                   +0 :              -0.00005912043181
                   +1 :              -0.00191143558620
                   +2 :              -0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :              -0.00003032218421
                   +0 :              -0.00021658998147
                   +1 :              -0.00047913123547
                   +2 :              -0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :               0.00000518886618
                   +1 :               0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :              -0.00001606999526
                   -1 :               0.00001753532624
                   +0 :              -0.00004905618656
                   +1 :              -0.00080146361794
                   +2 :              -0.00097093351079
                   +3 :              -0.00031299304337
             15 vec=   -10.719566      3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :               0.00055579038715
                   +1 :               0.00078957035185
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :               0.00009777446845
                   +0 :               0.00005912043181
                   +1 :               0.00191143558620
                   +2 :               0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :              -0.00003032218421
                   +0 :               0.00021658998147
                   +1 :               0.00047913123547
                   +2 :               0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :              -0.00000518886618
                   +1 :              -0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :              -0.00001606999526
                   -1 :               0.00001753532624
                   +0 :               0.00004905618656
                   +1 :               0.00080146361794
                   +2 :               0.00097093351079
                   +3 :               0.00031299304337
             16 vec=    -3.573189    -10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :               0.00020715913466
                   +1 :              -0.00025215604938
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :              -0.00124316127098
                   +0 :              -0.00036883364689
                   +1 :               0.00022923120985
                   +2 :               0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :               0.00021157055676
                   +0 :               0.00017961363509
                   +1 :              -0.00014786637084
                   +2 :              -0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :              -0.00009002709098
                   +1 :               0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :               0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :              -0.00009197114518
                   +1 :              -0.00009559393035
                   +2 :               0.00053173594407
                   +3 :              -0.00005244663354
             17 vec=    -3.573189     10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :              -0.00020715913466
                   +1 :               0.00025215604938
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :              -0.00124316127098
                   +0 :               0.00036883364689
                   +1 :              -0.00022923120985
                   +2 :              -0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :               0.00021157055676
                   +0 :              -0.00017961363509
                   +1 :               0.00014786637084
                   +2 :               0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :               0.00009002709098
                   +1 :              -0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :               0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :               0.00009197114518
                   +1 :               0.00009559393035
                   +2 :              -0.00053173594407
                   +3 :               0.00005244663354
             18 vec=     3.573189    -10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :               0.00020715913466
                   +1 :               0.00025215604938
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :              -0.00124316127098
                   +0 :              -0.00036883364689
                   +1 :              -0.00022923120985
                   +2 :               0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :               0.00021157055676
                   +0 :               0.00017961363509
                   +1 :               0.00014786637084
                   +2 :              -0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :              -0.00009002709098
                   +1 :              -0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :              -0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :              -0.00009197114518
                   +1 :               0.00009559393035
                   +2 :               0.00053173594407
                   +3 :               0.00005244663354
             19 vec=     3.573189     10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :              -0.00020715913466
                   +1 :              -0.00025215604938
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :              -0.00124316127098
                   +0 :               0.00036883364689
                   +1 :               0.00022923120985
                   +2 :              -0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :               0.00021157055676
                   +0 :              -0.00017961363509
                   +1 :              -0.00014786637084
                   +2 :               0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :               0.00009002709098
                   +1 :               0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :              -0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :               0.00009197114518
                   +1 :              -0.00009559393035
                   +2 :              -0.00053173594407
                   +3 :              -0.00005244663354
             20 vec=    10.719566     -3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :              -0.00055579038715
                   +1 :               0.00078957035185
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :               0.00009777446845
                   +0 :              -0.00005912043181
                   +1 :               0.00191143558620
                   +2 :              -0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :              -0.00003032218421
                   +0 :              -0.00021658998147
                   +1 :               0.00047913123547
                   +2 :              -0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :               0.00000518886618
                   +1 :              -0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :               0.00001606999526
                   -1 :               0.00001753532624
                   +0 :              -0.00004905618656
                   +1 :               0.00080146361794
                   +2 :              -0.00097093351079
                   +3 :               0.00031299304337
             21 vec=    10.719566      3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :               0.00055579038715
                   +1 :              -0.00078957035185
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :               0.00009777446845
                   +0 :               0.00005912043181
                   +1 :              -0.00191143558620
                   +2 :               0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :              -0.00003032218421
                   +0 :               0.00021658998147
                   +1 :              -0.00047913123547
                   +2 :               0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :              -0.00000518886618
                   +1 :               0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :               0.00001606999526
                   -1 :               0.00001753532624
                   +0 :               0.00004905618656
                   +1 :              -0.00080146361794
                   +2 :               0.00097093351079
                   +3 :              -0.00031299304337
             22 vec=   -14.292755      0.000000      4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00001366061391
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00006818952292
                   -1 :              -0.00005268732700
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00004150739544
                   -1 :               0.00002237073782
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000011024277
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00013892566273
                   -2 :               0.00003375030344
                   -1 :               0.00010770067462
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             23 vec=     0.000000    -14.292755      4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00003671152910
                5p
                   -1 :               0.00020084385193
                   +0 :               0.00008331959673
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00010051679474
                7s
                   +0 :               0.00007013697343
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00039836717465
                   +0 :               0.00011880225193
                   +1 :              -0.00000000000000
                   +2 :              -0.00119406541142
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00026029149671
                   +0 :              -0.00002220167958
                   +1 :               0.00000000000000
                   +2 :               0.00029775500165
                6p
                   -1 :              -0.00016673825626
                   +0 :              -0.00006376280401
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00045109182092
                   -2 :               0.00000000000000
                   -1 :              -0.00019863543936
                   +0 :               0.00014142973199
                   +1 :               0.00000000000000
                   +2 :               0.00042612379447
                   +3 :               0.00000000000000
             24 vec=     0.000000     14.292755      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00003671152910
                5p
                   -1 :               0.00020084385193
                   +0 :              -0.00008331959673
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00010051679474
                7s
                   +0 :              -0.00007013697343
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00039836717465
                   +0 :              -0.00011880225193
                   +1 :              -0.00000000000000
                   +2 :               0.00119406541142
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00026029149671
                   +0 :               0.00002220167958
                   +1 :               0.00000000000000
                   +2 :              -0.00029775500165
                6p
                   -1 :              -0.00016673825626
                   +0 :               0.00006376280401
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00045109182092
                   -2 :              -0.00000000000000
                   -1 :              -0.00019863543936
                   +0 :              -0.00014142973199
                   +1 :               0.00000000000000
                   +2 :              -0.00042612379447
                   +3 :               0.00000000000000
             25 vec=    14.292755      0.000000      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00001366061391
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00006818952292
                   -1 :              -0.00005268732700
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00004150739544
                   -1 :               0.00002237073782
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000011024277
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00013892566273
                   -2 :              -0.00003375030344
                   -1 :               0.00010770067462
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             26 vec=   -14.292755     -7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :              -0.00001021296756
                   +1 :              -0.00005581222147
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :              -0.00005902356971
                   +0 :               0.00016768121631
                   +1 :               0.00018624562078
                   +2 :              -0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :              -0.00001983821299
                   +0 :              -0.00002016167208
                   +1 :              -0.00008843535406
                   +2 :               0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :               0.00003087067859
                   +1 :              -0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :              -0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :              -0.00005244608015
                   +1 :               0.00006799674666
                   +2 :               0.00018554806550
                   +3 :              -0.00012674618846
             27 vec=   -14.292755      7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :               0.00001021296756
                   +1 :               0.00005581222147
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :              -0.00005902356971
                   +0 :              -0.00016768121631
                   +1 :              -0.00018624562078
                   +2 :               0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :              -0.00001983821299
                   +0 :               0.00002016167208
                   +1 :               0.00008843535406
                   +2 :              -0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :              -0.00003087067859
                   +1 :               0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :              -0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :               0.00005244608015
                   +1 :              -0.00006799674666
                   +2 :              -0.00018554806550
                   +3 :               0.00012674618846
             28 vec=    -7.146377    -14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :               0.00012082877211
                   +1 :               0.00006340173054
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :              -0.00002109344358
                   +0 :               0.00012885625891
                   +1 :              -0.00004528706388
                   +2 :              -0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :               0.00001782824303
                   +0 :               0.00000217085357
                   +1 :              -0.00001704004619
                   +2 :               0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :              -0.00001823055382
                   +1 :              -0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :              -0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :               0.00001145045249
                   +1 :               0.00008389061919
                   +2 :               0.00027728800124
                   +3 :              -0.00002409897074
             29 vec=    -7.146377     14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :              -0.00012082877211
                   +1 :              -0.00006340173054
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :              -0.00002109344358
                   +0 :              -0.00012885625891
                   +1 :               0.00004528706388
                   +2 :               0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :               0.00001782824303
                   +0 :              -0.00000217085357
                   +1 :               0.00001704004619
                   +2 :              -0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :               0.00001823055382
                   +1 :               0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :              -0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :              -0.00001145045249
                   +1 :              -0.00008389061919
                   +2 :              -0.00027728800124
                   +3 :               0.00002409897074
             30 vec=     7.146377    -14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :               0.00012082877211
                   +1 :              -0.00006340173054
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :              -0.00002109344358
                   +0 :               0.00012885625891
                   +1 :               0.00004528706388
                   +2 :              -0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :               0.00001782824303
                   +0 :               0.00000217085357
                   +1 :               0.00001704004619
                   +2 :               0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :              -0.00001823055382
                   +1 :               0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :               0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :               0.00001145045249
                   +1 :              -0.00008389061919
                   +2 :               0.00027728800124
                   +3 :               0.00002409897074
             31 vec=     7.146377     14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :              -0.00012082877211
                   +1 :               0.00006340173054
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :              -0.00002109344358
                   +0 :              -0.00012885625891
                   +1 :              -0.00004528706388
                   +2 :               0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :               0.00001782824303
                   +0 :              -0.00000217085357
                   +1 :              -0.00001704004619
                   +2 :              -0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :               0.00001823055382
                   +1 :              -0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :               0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :              -0.00001145045249
                   +1 :               0.00008389061919
                   +2 :              -0.00027728800124
                   +3 :              -0.00002409897074
             32 vec=    14.292755     -7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :              -0.00001021296756
                   +1 :               0.00005581222147
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :              -0.00005902356971
                   +0 :               0.00016768121631
                   +1 :              -0.00018624562078
                   +2 :              -0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :              -0.00001983821299
                   +0 :              -0.00002016167208
                   +1 :               0.00008843535406
                   +2 :               0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :               0.00003087067859
                   +1 :               0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :               0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :              -0.00005244608015
                   +1 :              -0.00006799674666
                   +2 :               0.00018554806550
                   +3 :               0.00012674618846
             33 vec=    14.292755      7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :               0.00001021296756
                   +1 :              -0.00005581222147
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :              -0.00005902356971
                   +0 :              -0.00016768121631
                   +1 :               0.00018624562078
                   +2 :               0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :              -0.00001983821299
                   +0 :               0.00002016167208
                   +1 :              -0.00008843535406
                   +2 :              -0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :              -0.00003087067859
                   +1 :              -0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :               0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :               0.00005244608015
                   +1 :               0.00006799674666
                   +2 :              -0.00018554806550
                   +3 :              -0.00012674618846
             34 vec=   -10.719566    -10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :               0.00003176316408
                   +1 :              -0.00001784522614
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :              -0.00006563698457
                   +0 :               0.00005710908902
                   +1 :              -0.00000645898121
                   +2 :               0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :               0.00003147497634
                   +0 :              -0.00002749191816
                   +1 :               0.00006353251969
                   +2 :              -0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :              -0.00002158658554
                   +1 :               0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :               0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :              -0.00002582654159
                   +1 :              -0.00005325970660
                   +2 :               0.00003542040258
                   +3 :               0.00016672000716
             35 vec=   -10.719566     10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :              -0.00003176316408
                   +1 :               0.00001784522614
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :              -0.00006563698457
                   +0 :              -0.00005710908902
                   +1 :               0.00000645898121
                   +2 :              -0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :               0.00003147497634
                   +0 :               0.00002749191816
                   +1 :              -0.00006353251969
                   +2 :               0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :               0.00002158658554
                   +1 :              -0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :               0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :               0.00002582654159
                   +1 :               0.00005325970660
                   +2 :              -0.00003542040258
                   +3 :              -0.00016672000716
             36 vec=    10.719566    -10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :               0.00003176316408
                   +1 :               0.00001784522614
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :              -0.00006563698457
                   +0 :               0.00005710908902
                   +1 :               0.00000645898121
                   +2 :               0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :               0.00003147497634
                   +0 :              -0.00002749191816
                   +1 :              -0.00006353251969
                   +2 :              -0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :              -0.00002158658554
                   +1 :              -0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :              -0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :              -0.00002582654159
                   +1 :               0.00005325970660
                   +2 :               0.00003542040258
                   +3 :              -0.00016672000716
             37 vec=    10.719566     10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :              -0.00003176316408
                   +1 :              -0.00001784522614
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :              -0.00006563698457
                   +0 :              -0.00005710908902
                   +1 :              -0.00000645898121
                   +2 :              -0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :               0.00003147497634
                   +0 :               0.00002749191816
                   +1 :               0.00006353251969
                   +2 :               0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :               0.00002158658554
                   +1 :               0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :              -0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :               0.00002582654159
                   +1 :              -0.00005325970660
                   +2 :              -0.00003542040258
                   +3 :               0.00016672000716
             38 vec=    -3.573189     -3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :               0.00014533634753
                   +1 :               0.00008976458596
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :               0.00000123796509
                   +0 :               0.00024682303584
                   +1 :               0.00020898222859
                   +2 :              -0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :               0.00005710446136
                   +0 :              -0.00018821339040
                   +1 :              -0.00007379173922
                   +2 :               0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :              -0.00006117924528
                   +1 :              -0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :              -0.00001870264096
                   -1 :               0.00000072993363
                   +0 :              -0.00002027663874
                   +1 :              -0.00002115570034
                   +2 :               0.00001482938036
                   +3 :               0.00000019253933
             39 vec=    -3.573189      3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :              -0.00014533634753
                   +1 :              -0.00008976458596
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :               0.00000123796509
                   +0 :              -0.00024682303584
                   +1 :              -0.00020898222859
                   +2 :               0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :               0.00005710446136
                   +0 :               0.00018821339040
                   +1 :               0.00007379173922
                   +2 :              -0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :               0.00006117924528
                   +1 :               0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :              -0.00001870264096
                   -1 :               0.00000072993363
                   +0 :               0.00002027663874
                   +1 :               0.00002115570034
                   +2 :              -0.00001482938036
                   +3 :              -0.00000019253933
             40 vec=     3.573189     -3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :               0.00014533634753
                   +1 :              -0.00008976458596
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :               0.00000123796509
                   +0 :               0.00024682303584
                   +1 :              -0.00020898222859
                   +2 :              -0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :               0.00005710446136
                   +0 :              -0.00018821339040
                   +1 :               0.00007379173922
                   +2 :               0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :              -0.00006117924528
                   +1 :               0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :               0.00001870264096
                   -1 :               0.00000072993363
                   +0 :              -0.00002027663874
                   +1 :               0.00002115570034
                   +2 :               0.00001482938036
                   +3 :              -0.00000019253933
             41 vec=     3.573189      3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :              -0.00014533634753
                   +1 :               0.00008976458596
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :               0.00000123796509
                   +0 :              -0.00024682303584
                   +1 :               0.00020898222859
                   +2 :               0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :               0.00005710446136
                   +0 :               0.00018821339040
                   +1 :              -0.00007379173922
                   +2 :              -0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :               0.00006117924528
                   +1 :              -0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :               0.00001870264096
                   -1 :               0.00000072993363
                   +0 :               0.00002027663874
                   +1 :              -0.00002115570034
                   +2 :              -0.00001482938036
                   +3 :               0.00000019253933
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :              -0.02614641501221
                   +1 :              -0.08227888251598
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :              -0.01683261061960
                   +0 :               0.03208793471326
                   +1 :              -0.03326120532581
                   +2 :              -0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :              -0.00129911910529
                   +0 :               0.00192560839971
                   +1 :               0.00298719194765
                   +2 :               0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :              -0.00331069113577
                   +1 :              -0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :              -0.01549615231281
                   -1 :               0.00712582338198
                   +0 :               0.01250709297084
                   +1 :               0.01364884628505
                   +2 :              -0.00753488302829
                   +3 :               0.00541074852406
              2 vec=    -3.573189      3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :               0.02614641501221
                   +1 :               0.08227888251598
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :              -0.01683261061960
                   +0 :              -0.03208793471326
                   +1 :               0.03326120532581
                   +2 :               0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :              -0.00129911910529
                   +0 :              -0.00192560839971
                   +1 :              -0.00298719194765
                   +2 :              -0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :               0.00331069113577
                   +1 :               0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :              -0.01549615231281
                   -1 :               0.00712582338198
                   +0 :              -0.01250709297084
                   +1 :              -0.01364884628505
                   +2 :               0.00753488302829
                   +3 :              -0.00541074852406
              3 vec=     3.573189     -3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :              -0.02614641501221
                   +1 :               0.08227888251598
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :              -0.01683261061960
                   +0 :               0.03208793471326
                   +1 :               0.03326120532581
                   +2 :              -0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :              -0.00129911910529
                   +0 :               0.00192560839971
                   +1 :              -0.00298719194765
                   +2 :               0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :              -0.00331069113577
                   +1 :               0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :               0.01549615231281
                   -1 :               0.00712582338198
                   +0 :               0.01250709297084
                   +1 :              -0.01364884628505
                   +2 :              -0.00753488302829
                   +3 :              -0.00541074852406
              4 vec=     3.573189      3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :               0.02614641501221
                   +1 :              -0.08227888251598
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :              -0.01683261061960
                   +0 :              -0.03208793471326
                   +1 :              -0.03326120532581
                   +2 :               0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :              -0.00129911910529
                   +0 :              -0.00192560839971
                   +1 :               0.00298719194765
                   +2 :              -0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :               0.00331069113577
                   +1 :              -0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :               0.01549615231281
                   -1 :               0.00712582338198
                   +0 :              -0.01250709297084
                   +1 :               0.01364884628505
                   +2 :               0.00753488302829
                   +3 :               0.00541074852406
              5 vec=   -10.719566     -3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :              -0.00061339942960
                   +1 :              -0.00166863909623
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :               0.00049394790317
                   +0 :               0.00043839391877
                   +1 :              -0.00045289607543
                   +2 :              -0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :              -0.00011983136585
                   +0 :               0.00017854555947
                   +1 :              -0.00027051749658
                   +2 :              -0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :              -0.00000774335808
                   +1 :              -0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :               0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :               0.00079547376021
                   +1 :              -0.00019669045640
                   +2 :               0.00033681782588
                   +3 :               0.00021612930547
              6 vec=   -10.719566      3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :               0.00061339942960
                   +1 :               0.00166863909623
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :               0.00049394790317
                   +0 :              -0.00043839391877
                   +1 :               0.00045289607543
                   +2 :               0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :              -0.00011983136585
                   +0 :              -0.00017854555947
                   +1 :               0.00027051749658
                   +2 :               0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :               0.00000774335808
                   +1 :               0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :               0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :              -0.00079547376021
                   +1 :               0.00019669045640
                   +2 :              -0.00033681782588
                   +3 :              -0.00021612930547
              7 vec=    -3.573189    -10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :              -0.00057234510004
                   +1 :              -0.00054362310281
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :              -0.00096664435939
                   +0 :               0.00156424730693
                   +1 :               0.00004783419230
                   +2 :               0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :               0.00022106529893
                   +0 :              -0.00063951963368
                   +1 :               0.00026638515465
                   +2 :              -0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :               0.00010408422277
                   +1 :               0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :              -0.00004856537930
                   -1 :               0.00045552011530
                   +0 :               0.00068937302327
                   +1 :              -0.00001755126458
                   +2 :               0.00056192465122
                   +3 :               0.00078034915005
              8 vec=    -3.573189     10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :               0.00057234510004
                   +1 :               0.00054362310281
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :              -0.00096664435939
                   +0 :              -0.00156424730693
                   +1 :              -0.00004783419230
                   +2 :              -0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :               0.00022106529893
                   +0 :               0.00063951963368
                   +1 :              -0.00026638515465
                   +2 :               0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :              -0.00010408422277
                   +1 :              -0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :              -0.00004856537930
                   -1 :               0.00045552011530
                   +0 :              -0.00068937302327
                   +1 :               0.00001755126458
                   +2 :              -0.00056192465122
                   +3 :              -0.00078034915005
              9 vec=     3.573189    -10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :              -0.00057234510004
                   +1 :               0.00054362310281
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :              -0.00096664435939
                   +0 :               0.00156424730693
                   +1 :              -0.00004783419230
                   +2 :               0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :               0.00022106529893
                   +0 :              -0.00063951963368
                   +1 :              -0.00026638515465
                   +2 :              -0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :               0.00010408422277
                   +1 :              -0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :               0.00004856537930
                   -1 :               0.00045552011530
                   +0 :               0.00068937302327
                   +1 :               0.00001755126458
                   +2 :               0.00056192465122
                   +3 :              -0.00078034915005
             10 vec=     3.573189     10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :               0.00057234510004
                   +1 :              -0.00054362310281
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :              -0.00096664435939
                   +0 :              -0.00156424730693
                   +1 :               0.00004783419230
                   +2 :              -0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :               0.00022106529893
                   +0 :               0.00063951963368
                   +1 :               0.00026638515465
                   +2 :               0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :              -0.00010408422277
                   +1 :               0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :               0.00004856537930
                   -1 :               0.00045552011530
                   +0 :              -0.00068937302327
                   +1 :              -0.00001755126458
                   +2 :              -0.00056192465122
                   +3 :               0.00078034915005
             11 vec=    10.719566     -3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :              -0.00061339942960
                   +1 :               0.00166863909623
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :               0.00049394790317
                   +0 :               0.00043839391877
                   +1 :               0.00045289607543
                   +2 :              -0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :              -0.00011983136585
                   +0 :               0.00017854555947
                   +1 :               0.00027051749658
                   +2 :              -0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :              -0.00000774335808
                   +1 :               0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :              -0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :               0.00079547376021
                   +1 :               0.00019669045640
                   +2 :               0.00033681782588
                   +3 :              -0.00021612930547
             12 vec=    10.719566      3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :               0.00061339942960
                   +1 :              -0.00166863909623
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :               0.00049394790317
                   +0 :              -0.00043839391877
                   +1 :              -0.00045289607543
                   +2 :               0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :              -0.00011983136585
                   +0 :              -0.00017854555947
                   +1 :              -0.00027051749658
                   +2 :               0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :               0.00000774335808
                   +1 :              -0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :              -0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :              -0.00079547376021
                   +1 :              -0.00019669045640
                   +2 :              -0.00033681782588
                   +3 :               0.00021612930547
             13 vec=     0.000000      0.000000     11.456663   |vec|=   11.456663
                5p
                   -1 :               0.00066224307083
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00303483150860
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00184200057634
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00095067387054
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00068557735169
                   -2 :               0.00000000000000
                   -1 :               0.00022837298084
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             14 vec=    -7.146377      0.000000     11.456663   |vec|=   13.502809
                5p
                   -1 :               0.00039196865390
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00044919353632
                   -1 :               0.00002544095189
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6d
                   -2 :               0.00033289612724
                   -1 :              -0.00029478586322
                   +0 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00012250660049
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00014046041973
                   -2 :               0.00013269228931
                   -1 :               0.00004541385857
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             15 vec=     0.000000     -7.146377     11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00142362402535
                5p
                   -1 :               0.00122662648551
                   +0 :              -0.00114283383424
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00058782316591
                7s
                   +0 :              -0.00024059125392
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00225180670006
                   +0 :              -0.00006358943724
                   +1 :               0.00000000000000
                   +2 :              -0.00193863526457
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00036551319733
                   +0 :               0.00024378040302
                   +1 :               0.00000000000000
                   +2 :              -0.00022597431413
                6p
                   -1 :              -0.00007672645912
                   +0 :               0.00021806853344
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00039214798733
                   -2 :               0.00000000000000
                   -1 :               0.00085782339167
                   +0 :              -0.00002035339133
                   +1 :              -0.00000000000000
                   +2 :               0.00131737275570
                   +3 :              -0.00000000000000
             16 vec=     0.000000      7.146377     11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00142362402535
                5p
                   -1 :               0.00122662648551
                   +0 :               0.00114283383424
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00058782316591
                7s
                   +0 :               0.00024059125392
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00225180670006
                   +0 :               0.00006358943724
                   +1 :               0.00000000000000
                   +2 :               0.00193863526457
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00036551319733
                   +0 :              -0.00024378040302
                   +2 :               0.00022597431413
                6p
                   -1 :              -0.00007672645912
                   +0 :              -0.00021806853344
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00039214798733
                   -2 :              -0.00000000000000
                   -1 :               0.00085782339167
                   +0 :               0.00002035339133
                   +1 :               0.00000000000000
                   +2 :              -0.00131737275570
                   +3 :               0.00000000000000
             17 vec=     7.146377      0.000000     11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00039196865390
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00044919353632
                   -1 :               0.00002544095189
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00033289612724
                   -1 :              -0.00029478586322
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00012250660049
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00014046041973
                   -2 :              -0.00013269228931
                   -1 :               0.00004541385857
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             18 vec=     0.000000      0.000000    -13.579751   |vec|=   13.579751
                5p
                   -1 :              -0.00011583218729
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00091585277263
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00022795505033
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00004969194389
                4f
                   -3 :               0.00014606277819
                   -2 :              -0.00000000000000
                   -1 :              -0.00041573570754
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             19 vec=   -10.719566    -10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :              -0.00048025789920
                   +1 :              -0.00031381645225
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :              -0.00145789787449
                   +0 :               0.00093962323009
                   +1 :              -0.00135614493841
                   +2 :               0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :               0.00024451632751
                   +0 :               0.00010778161816
                   +1 :               0.00016191341876
                   +2 :              -0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :              -0.00015357616455
                   +1 :              -0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :              -0.00091644218607
                   -1 :               0.00046749184551
                   +0 :               0.00070406379794
                   +1 :               0.00029091851500
                   +2 :               0.00033489055551
                   +3 :               0.00095229123119
             20 vec=   -10.719566     10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :               0.00048025789920
                   +1 :               0.00031381645225
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :              -0.00145789787449
                   +0 :              -0.00093962323009
                   +1 :               0.00135614493841
                   +2 :              -0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :               0.00024451632751
                   +0 :              -0.00010778161816
                   +1 :              -0.00016191341876
                   +2 :               0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :               0.00015357616455
                   +1 :               0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :              -0.00091644218607
                   -1 :               0.00046749184551
                   +0 :              -0.00070406379794
                   +1 :              -0.00029091851500
                   +2 :              -0.00033489055551
                   +3 :              -0.00095229123119
             21 vec=    10.719566    -10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :              -0.00048025789920
                   +1 :               0.00031381645225
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :              -0.00145789787449
                   +0 :               0.00093962323009
                   +1 :               0.00135614493841
                   +2 :               0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :               0.00024451632751
                   +0 :               0.00010778161816
                   +1 :              -0.00016191341876
                   +2 :              -0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :              -0.00015357616455
                   +1 :               0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :               0.00091644218607
                   -1 :               0.00046749184551
                   +0 :               0.00070406379794
                   +1 :              -0.00029091851500
                   +2 :               0.00033489055551
                   +3 :              -0.00095229123119
             22 vec=    10.719566     10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :               0.00048025789920
                   +1 :              -0.00031381645225
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :              -0.00145789787449
                   +0 :              -0.00093962323009
                   +1 :              -0.00135614493841
                   +2 :              -0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :               0.00024451632751
                   +0 :              -0.00010778161816
                   +1 :               0.00016191341876
                   +2 :               0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :               0.00015357616455
                   +1 :              -0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :               0.00091644218607
                   -1 :               0.00046749184551
                   +0 :              -0.00070406379794
                   +1 :               0.00029091851500
                   +2 :              -0.00033489055551
                   +3 :               0.00095229123119
             23 vec=    -7.146377     -7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :              -0.00006887077924
                   +1 :              -0.00004488562942
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :              -0.00006989040868
                   +0 :               0.00015683289519
                   +1 :              -0.00006384592461
                   +2 :              -0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :               0.00016994547369
                   +0 :               0.00000647198193
                   +1 :               0.00007041041773
                   +2 :               0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :               0.00001831919474
                   +1 :              -0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :              -0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :              -0.00012251007782
                   +1 :               0.00004321150074
                   +2 :               0.00008298440017
                   +3 :              -0.00012158775374
             24 vec=    -7.146377      7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :               0.00006887077924
                   +1 :               0.00004488562942
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :              -0.00006989040868
                   +0 :              -0.00015683289519
                   +1 :               0.00006384592461
                   +2 :               0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :               0.00016994547369
                   +0 :              -0.00000647198193
                   +1 :              -0.00007041041773
                   +2 :              -0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :              -0.00001831919474
                   +1 :               0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :              -0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :               0.00012251007782
                   +1 :              -0.00004321150074
                   +2 :              -0.00008298440017
                   +3 :               0.00012158775374
             25 vec=     7.146377     -7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :              -0.00006887077924
                   +1 :               0.00004488562942
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :              -0.00006989040868
                   +0 :               0.00015683289519
                   +1 :               0.00006384592461
                   +2 :              -0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :               0.00016994547369
                   +0 :               0.00000647198193
                   +1 :              -0.00007041041773
                   +2 :               0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :               0.00001831919474
                   +1 :               0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :               0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :              -0.00012251007782
                   +1 :              -0.00004321150074
                   +2 :               0.00008298440017
                   +3 :               0.00012158775374
             26 vec=     7.146377      7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :               0.00006887077924
                   +1 :              -0.00004488562942
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :              -0.00006989040868
                   +0 :              -0.00015683289519
                   +1 :              -0.00006384592461
                   +2 :               0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :               0.00016994547369
                   +0 :              -0.00000647198193
                   +1 :               0.00007041041773
                   +2 :              -0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :              -0.00001831919474
                   +1 :              -0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :               0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :               0.00012251007782
                   +1 :               0.00004321150074
                   +2 :              -0.00008298440017
                   +3 :              -0.00012158775374
             27 vec=    -7.146377      0.000000    -13.579751   |vec|=   15.345369
                5p
                   -1 :              -0.00006150344320
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00028052027744
                   -1 :              -0.00034033307734
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00007526783968
                   -1 :               0.00006081898537
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001665007872
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00007478109075
                   -2 :              -0.00000986970808
                   -1 :              -0.00003885346034
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             28 vec=     0.000000     -7.146377    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00026066645725
                5p
                   -1 :               0.00012591975310
                   +0 :              -0.00050048077745
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00023571540106
                7s
                   +0 :              -0.00000323730309
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00049105000383
                   +0 :              -0.00088982523603
                   +1 :              -0.00000000000000
                   +2 :              -0.00013964226262
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012188650245
                   +0 :              -0.00004737170155
                   +1 :              -0.00000000000000
                   +2 :               0.00002548777278
                6p
                   -1 :               0.00002917343109
                   +0 :              -0.00001644833177
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00001017176117
                   -2 :              -0.00000000000000
                   -1 :               0.00020807192442
                   +0 :              -0.00060913078671
                   +1 :              -0.00000000000000
                   +2 :              -0.00008361794885
                   +3 :               0.00000000000000
             29 vec=     0.000000      7.146377    -13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00026066645725
                5p
                   -1 :               0.00012591975310
                   +0 :               0.00050048077745
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00023571540106
                7s
                   +0 :               0.00000323730309
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00049105000383
                   +0 :               0.00088982523603
                   +1 :               0.00000000000000
                   +2 :               0.00013964226262
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012188650245
                   +0 :               0.00004737170155
                   +1 :               0.00000000000000
                   +2 :              -0.00002548777278
                6p
                   -1 :               0.00002917343109
                   +0 :               0.00001644833177
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00001017176117
                   -2 :               0.00000000000000
                   -1 :               0.00020807192442
                   +0 :               0.00060913078671
                   +1 :              -0.00000000000000
                   +2 :               0.00008361794885
                   +3 :              -0.00000000000000
             30 vec=     7.146377      0.000000    -13.579751   |vec|=   15.345369
                5p
                   -1 :              -0.00006150344320
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00028052027744
                   -1 :              -0.00034033307734
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00007526783968
                   -1 :               0.00006081898537
                   +0 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001665007872
                   +0 :              -0.00000000000000
                4f
                   -3 :               0.00007478109075
                   -2 :               0.00000986970808
                   -1 :              -0.00003885346034
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             31 vec=    -7.146377     -7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :               0.00013783044062
                   +1 :               0.00003070947413
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :               0.00012690952574
                   +0 :              -0.00026087742881
                   +1 :               0.00002183750112
                   +2 :              -0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :              -0.00001268342857
                   +0 :               0.00013617303020
                   +1 :               0.00005098546629
                   +2 :               0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :              -0.00011926691806
                   +1 :               0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :              -0.00000459382652
                   -1 :               0.00001576189199
                   +0 :              -0.00011994927883
                   +1 :               0.00004417456967
                   +2 :              -0.00007013765147
                   +3 :              -0.00003782192348
             32 vec=    -7.146377      7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :              -0.00013783044062
                   +1 :              -0.00003070947413
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :               0.00012690952574
                   +0 :               0.00026087742881
                   +1 :              -0.00002183750112
                   +2 :               0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :              -0.00001268342857
                   +0 :              -0.00013617303020
                   +1 :              -0.00005098546629
                   +2 :              -0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :               0.00011926691806
                   +1 :              -0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :              -0.00000459382652
                   -1 :               0.00001576189199
                   +0 :               0.00011994927883
                   +1 :              -0.00004417456967
                   +2 :               0.00007013765147
                   +3 :               0.00003782192348
             33 vec=     7.146377     -7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :               0.00013783044062
                   +1 :              -0.00003070947413
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :               0.00012690952574
                   +0 :              -0.00026087742881
                   +1 :              -0.00002183750112
                   +2 :              -0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :              -0.00001268342857
                   +0 :               0.00013617303020
                   +1 :              -0.00005098546629
                   +2 :               0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :              -0.00011926691806
                   +1 :              -0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :               0.00000459382652
                   -1 :               0.00001576189199
                   +0 :              -0.00011994927883
                   +1 :              -0.00004417456967
                   +2 :              -0.00007013765147
                   +3 :               0.00003782192348
             34 vec=     7.146377      7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :              -0.00013783044062
                   +1 :               0.00003070947413
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :               0.00012690952574
                   +0 :               0.00026087742881
                   +1 :               0.00002183750112
                   +2 :               0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :              -0.00001268342857
                   +0 :              -0.00013617303020
                   +1 :               0.00005098546629
                   +2 :              -0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :               0.00011926691806
                   +1 :               0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :               0.00000459382652
                   -1 :               0.00001576189199
                   +0 :               0.00011994927883
                   +1 :               0.00004417456967
                   +2 :               0.00007013765147
                   +3 :              -0.00003782192348
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site Cu(  3)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                3p
                   -1 :               0.00154920633673
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.01699948011712
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00423109465749
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.01281094992684
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00071247635536
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00113470050757
                   -1 :               0.00256662905269
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00008152049477
                   -1 :              -0.00015671132452
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00177912972407
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00011919601940
                3p
                   -1 :              -0.00018634064339
                   +0 :               0.00033955613524
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00610130489386
                5s
                   +0 :              -0.00064426574966
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00276821179246
                   +0 :               0.00008437541586
                   +1 :               0.00000000000000
                   +2 :               0.00057999411520
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00033398569434
                   +0 :              -0.00002700670439
                   +1 :              -0.00000000000000
                   +2 :              -0.00039242701153
                4p
                   -1 :              -0.00113154699925
                   +0 :               0.00292397380679
                   +1 :               0.00000000000000
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00011919601940
                3p
                   -1 :              -0.00018634064339
                   +0 :              -0.00033955613524
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00610130489386
                5s
                   +0 :               0.00064426574966
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00276821179246
                   +0 :              -0.00008437541586
                   +1 :              -0.00000000000000
                   +2 :              -0.00057999411520
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00033398569434
                   +0 :               0.00002700670439
                   +1 :              -0.00000000000000
                   +2 :               0.00039242701153
                4p
                   -1 :              -0.00113154699925
                   +0 :              -0.00292397380679
                   +1 :               0.00000000000000
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00071247635536
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00113470050757
                   -1 :               0.00256662905269
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00008152049477
                   -1 :              -0.00015671132452
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00177912972407
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :               0.00005070653414
                   +1 :              -0.00067281332221
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :               0.00230246937535
                   +0 :              -0.00131766148908
                   +1 :               0.00125291215803
                   +2 :              -0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :               0.00017223500809
                   +0 :              -0.00002812420616
                   +1 :               0.00031915726635
                   +2 :              -0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :               0.00016296441063
                   +1 :               0.00211095571023
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :              -0.00005070653414
                   +1 :               0.00067281332221
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :               0.00230246937535
                   +0 :               0.00131766148908
                   +1 :              -0.00125291215803
                   +2 :               0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :               0.00017223500809
                   +0 :               0.00002812420616
                   +1 :              -0.00031915726635
                   +2 :               0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :              -0.00016296441063
                   +1 :              -0.00211095571023
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :               0.00005070653414
                   +1 :               0.00067281332221
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :               0.00230246937535
                   +0 :              -0.00131766148908
                   +1 :              -0.00125291215803
                   +2 :              -0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :               0.00017223500809
                   +0 :              -0.00002812420616
                   +1 :              -0.00031915726635
                   +2 :              -0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :               0.00016296441063
                   +1 :              -0.00211095571023
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :              -0.00005070653414
                   +1 :              -0.00067281332221
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :               0.00230246937535
                   +0 :               0.00131766148908
                   +1 :               0.00125291215803
                   +2 :               0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :               0.00017223500809
                   +0 :               0.00002812420616
                   +1 :               0.00031915726635
                   +2 :               0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :              -0.00016296441063
                   +1 :               0.00211095571023
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :               0.00028885568741
                   +1 :               0.00019887762691
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :               0.00107440617868
                   +0 :               0.00100526363471
                   +1 :               0.00240082574909
                   +2 :               0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :               0.00046621922818
                   +0 :               0.00036748391435
                   +1 :               0.00019642538137
                   +2 :              -0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :              -0.00136244125457
                   +1 :              -0.00051664534082
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :              -0.00028885568741
                   +1 :              -0.00019887762691
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :               0.00107440617868
                   +0 :              -0.00100526363471
                   +1 :              -0.00240082574909
                   +2 :              -0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :               0.00046621922818
                   +0 :              -0.00036748391435
                   +1 :              -0.00019642538137
                   +2 :               0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :               0.00136244125457
                   +1 :               0.00051664534082
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :               0.00028885568741
                   +1 :              -0.00019887762691
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :               0.00107440617868
                   +0 :               0.00100526363471
                   +1 :              -0.00240082574909
                   +2 :               0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :               0.00046621922818
                   +0 :               0.00036748391435
                   +1 :              -0.00019642538137
                   +2 :              -0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :              -0.00136244125457
                   +1 :               0.00051664534082
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :              -0.00028885568741
                   +1 :               0.00019887762691
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :               0.00107440617868
                   +0 :              -0.00100526363471
                   +1 :               0.00240082574909
                   +2 :              -0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :               0.00046621922818
                   +0 :              -0.00036748391435
                   +1 :               0.00019642538137
                   +2 :               0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :               0.00136244125457
                   +1 :              -0.00051664534082
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :              -0.00001243170610
                   +1 :              -0.00020085219989
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :               0.00000922066118
                   +0 :              -0.00009747487988
                   +1 :               0.00022220762080
                   +2 :               0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :              -0.00000077908277
                   +0 :               0.00000513199327
                   +1 :               0.00003306842578
                   +2 :              -0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :              -0.00015521152237
                   +1 :               0.00030512505669
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :               0.00001243170610
                   +1 :               0.00020085219989
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :               0.00000922066118
                   +0 :               0.00009747487988
                   +1 :              -0.00022220762080
                   +2 :              -0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :              -0.00000077908277
                   +0 :              -0.00000513199327
                   +1 :              -0.00003306842578
                   +2 :               0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :               0.00015521152237
                   +1 :              -0.00030512505669
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :              -0.00014922866345
                   +1 :               0.00012442379058
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :              -0.00016897529233
                   +0 :               0.00006758510071
                   +1 :              -0.00004742787416
                   +2 :               0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :               0.00019328053161
                   +0 :              -0.00002282982624
                   +1 :              -0.00003447286804
                   +2 :               0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :               0.00006556867971
                   +1 :              -0.00017108780475
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :               0.00014922866345
                   +1 :              -0.00012442379058
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :              -0.00016897529233
                   +0 :              -0.00006758510071
                   +1 :               0.00004742787416
                   +2 :              -0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :               0.00019328053161
                   +0 :               0.00002282982624
                   +1 :               0.00003447286804
                   +2 :              -0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :              -0.00006556867971
                   +1 :               0.00017108780475
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :              -0.00014922866345
                   +1 :              -0.00012442379058
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :              -0.00016897529233
                   +0 :               0.00006758510071
                   +1 :               0.00004742787416
                   +2 :               0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :               0.00019328053161
                   +0 :              -0.00002282982624
                   +1 :               0.00003447286804
                   +2 :               0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :               0.00006556867971
                   +1 :               0.00017108780475
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :               0.00014922866345
                   +1 :               0.00012442379058
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :              -0.00016897529233
                   +0 :              -0.00006758510071
                   +1 :              -0.00004742787416
                   +2 :              -0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :               0.00019328053161
                   +0 :               0.00002282982624
                   +1 :              -0.00003447286804
                   +2 :              -0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :              -0.00006556867971
                   +1 :              -0.00017108780475
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :              -0.00001243170610
                   +1 :               0.00020085219989
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :               0.00000922066118
                   +0 :              -0.00009747487988
                   +1 :              -0.00022220762080
                   +2 :               0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :              -0.00000077908277
                   +0 :               0.00000513199327
                   +1 :              -0.00003306842578
                   +2 :              -0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :              -0.00015521152237
                   +1 :              -0.00030512505669
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :               0.00001243170610
                   +1 :              -0.00020085219989
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :               0.00000922066118
                   +0 :               0.00009747487988
                   +1 :               0.00022220762080
                   +2 :              -0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :              -0.00000077908277
                   +0 :              -0.00000513199327
                   +1 :               0.00003306842578
                   +2 :               0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :               0.00015521152237
                   +1 :               0.00030512505669
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00001128356712
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00011220193478
                   -1 :              -0.00003574631421
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00005482291506
                   -1 :               0.00001833636026
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00021960517224
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00014225101179
                3p
                   -1 :              -0.00015707250399
                   +0 :               0.00005462838298
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000399436066
                5s
                   +0 :               0.00009075974509
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00012182963132
                   +0 :              -0.00005104766117
                   +1 :              -0.00000000000000
                   +2 :              -0.00038709247160
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001949253423
                   +0 :               0.00002860307136
                   +1 :              -0.00000000000000
                   +2 :               0.00002678994363
                4p
                   -1 :               0.00010129675204
                   +0 :              -0.00018193858482
                   +1 :               0.00000000000000
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00014225101179
                3p
                   -1 :              -0.00015707250399
                   +0 :              -0.00005462838298
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000399436066
                5s
                   +0 :              -0.00009075974509
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00012182963132
                   +0 :               0.00005104766117
                   +1 :              -0.00000000000000
                   +2 :               0.00038709247160
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001949253423
                   +0 :              -0.00002860307136
                   +1 :              -0.00000000000000
                   +2 :              -0.00002678994363
                4p
                   -1 :               0.00010129675204
                   +0 :               0.00018193858482
                   +1 :               0.00000000000000
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00001128356712
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00011220193478
                   -1 :              -0.00003574631421
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00005482291506
                   -1 :               0.00001833636026
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00021960517224
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :               0.00002295997326
                   +1 :               0.00000332716300
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :               0.00003875055170
                   +0 :              -0.00000826667793
                   +1 :               0.00001088249042
                   +2 :               0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :               0.00001790036825
                   +0 :              -0.00001958990877
                   +1 :               0.00003257296674
                   +2 :               0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :              -0.00002574616713
                   +1 :              -0.00005851222729
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :              -0.00002295997326
                   +1 :              -0.00000332716300
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :               0.00003875055170
                   +0 :               0.00000826667793
                   +1 :              -0.00001088249042
                   +2 :              -0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :               0.00001790036825
                   +0 :               0.00001958990877
                   +1 :              -0.00003257296674
                   +2 :              -0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :               0.00002574616713
                   +1 :               0.00005851222729
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :               0.00005193217242
                   +1 :               0.00001801290427
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :              -0.00001833886434
                   +0 :               0.00003192436203
                   +1 :               0.00009569011579
                   +2 :               0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :              -0.00001337244268
                   +0 :               0.00001475269599
                   +1 :               0.00001171377959
                   +2 :               0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :              -0.00011010285769
                   +1 :              -0.00004888607409
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :              -0.00005193217242
                   +1 :              -0.00001801290427
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :              -0.00001833886434
                   +0 :              -0.00003192436203
                   +1 :              -0.00009569011579
                   +2 :              -0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :              -0.00001337244268
                   +0 :              -0.00001475269599
                   +1 :              -0.00001171377959
                   +2 :              -0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :               0.00011010285769
                   +1 :               0.00004888607409
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :               0.00005193217242
                   +1 :              -0.00001801290427
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :              -0.00001833886434
                   +0 :               0.00003192436203
                   +1 :              -0.00009569011579
                   +2 :               0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :              -0.00001337244268
                   +0 :               0.00001475269599
                   +1 :              -0.00001171377959
                   +2 :               0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :              -0.00011010285769
                   +1 :               0.00004888607409
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :              -0.00005193217242
                   +1 :               0.00001801290427
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :              -0.00001833886434
                   +0 :              -0.00003192436203
                   +1 :               0.00009569011579
                   +2 :              -0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :              -0.00001337244268
                   +0 :              -0.00001475269599
                   +1 :               0.00001171377959
                   +2 :              -0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :               0.00011010285769
                   +1 :              -0.00004888607409
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :               0.00002295997326
                   +1 :              -0.00000332716300
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :               0.00003875055170
                   +0 :              -0.00000826667793
                   +1 :              -0.00001088249042
                   +2 :               0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :               0.00001790036825
                   +0 :              -0.00001958990877
                   +1 :              -0.00003257296674
                   +2 :               0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :              -0.00002574616713
                   +1 :               0.00005851222729
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :              -0.00002295997326
                   +1 :               0.00000332716300
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :               0.00003875055170
                   +0 :               0.00000826667793
                   +1 :               0.00001088249042
                   +2 :              -0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :               0.00001790036825
                   +0 :               0.00001958990877
                   +1 :               0.00003257296674
                   +2 :              -0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :               0.00002574616713
                   +1 :              -0.00005851222729
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :              -0.00005014407229
                   +1 :               0.00005162706053
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :              -0.00008200054857
                   +0 :               0.00009567853838
                   +1 :              -0.00005778624528
                   +2 :              -0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :               0.00002147941039
                   +0 :               0.00003433741397
                   +1 :               0.00000487158575
                   +2 :               0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :               0.00018033655188
                   +1 :               0.00001771875092
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :               0.00005014407229
                   +1 :              -0.00005162706053
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :              -0.00008200054857
                   +0 :              -0.00009567853838
                   +1 :               0.00005778624528
                   +2 :               0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :               0.00002147941039
                   +0 :              -0.00003433741397
                   +1 :              -0.00000487158575
                   +2 :              -0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :              -0.00018033655188
                   +1 :              -0.00001771875092
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :              -0.00005014407229
                   +1 :              -0.00005162706053
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :              -0.00008200054857
                   +0 :               0.00009567853838
                   +1 :               0.00005778624528
                   +2 :              -0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :               0.00002147941039
                   +0 :               0.00003433741397
                   +1 :              -0.00000487158575
                   +2 :               0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :               0.00018033655188
                   +1 :              -0.00001771875092
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :               0.00005014407229
                   +1 :               0.00005162706053
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :              -0.00008200054857
                   +0 :              -0.00009567853838
                   +1 :              -0.00005778624528
                   +2 :               0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :               0.00002147941039
                   +0 :              -0.00003433741397
                   +1 :               0.00000487158575
                   +2 :              -0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :              -0.00018033655188
                   +1 :               0.00001771875092
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :               0.00002477516106
                   +1 :               0.00001461872234
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :               0.00002775880446
                   +0 :              -0.00003710711488
                   +1 :               0.00004272982252
                   +2 :               0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :               0.00000313788009
                   +0 :              -0.00000516799713
                   +1 :               0.00000966681414
                   +2 :               0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :              -0.00004703958297
                   +1 :              -0.00003555957241
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :              -0.00002477516106
                   +1 :              -0.00001461872234
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :               0.00002775880446
                   +0 :               0.00003710711488
                   +1 :              -0.00004272982252
                   +2 :              -0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :               0.00000313788009
                   +0 :               0.00000516799713
                   +1 :              -0.00000966681414
                   +2 :              -0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :               0.00004703958297
                   +1 :               0.00003555957241
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :               0.00002477516106
                   +1 :              -0.00001461872234
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :               0.00002775880446
                   +0 :              -0.00003710711488
                   +1 :              -0.00004272982252
                   +2 :               0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :               0.00000313788009
                   +0 :              -0.00000516799713
                   +1 :              -0.00000966681414
                   +2 :               0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :              -0.00004703958297
                   +1 :               0.00003555957241
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :              -0.00002477516106
                   +1 :               0.00001461872234
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :               0.00002775880446
                   +0 :               0.00003710711488
                   +1 :               0.00004272982252
                   +2 :              -0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :               0.00000313788009
                   +0 :               0.00000516799713
                   +1 :               0.00000966681414
                   +2 :              -0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :               0.00004703958297
                   +1 :              -0.00003555957241
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site O (  4)  npairs=  34
              1 vec=     0.000000     -3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00093071058077
                2s
                   +0 :              -0.01701167207723
                3s
                   +0 :               0.00279896943208
                2p
                   -1 :               0.01373950483642
                   +0 :               0.01379435243312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00115494900623
                   +0 :              -0.00181694106225
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00091390587105
                   +0 :              -0.00114406835784
                   +1 :               0.00000000000000
                   +2 :               0.00052865716028
              2 vec=     0.000000      3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00093071058077
                2s
                   +0 :               0.01701167207723
                3s
                   +0 :              -0.00279896943208
                2p
                   -1 :               0.01373950483642
                   +0 :              -0.01379435243312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00115494900623
                   +0 :               0.00181694106225
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00091390587105
                   +0 :               0.00114406835784
                   +1 :               0.00000000000000
                   +2 :              -0.00052865716028
              3 vec=    -3.573189      0.000000      7.951565   |vec|=    8.717515
                2p
                   -1 :               0.00357699209751
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00012931208798
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000211070884
                   -1 :               0.00004182238433
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     3.573189      0.000000      7.951565   |vec|=    8.717515
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00357699209751
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00012931208798
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00000211070884
                   -1 :               0.00004182238433
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              5 vec=    -7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :               0.01281979065218
                   +1 :               0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :              -0.00445075411106
                   +1 :              -0.00317502748974
                3d
                   -2 :               0.00012920790247
                   -1 :               0.00014585919591
                   +0 :              -0.00016792428209
                   +1 :               0.00026722615049
                   +2 :               0.00004025115825
              6 vec=    -7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :              -0.01281979065218
                   +1 :              -0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :               0.00445075411106
                   +1 :               0.00317502748974
                3d
                   -2 :               0.00012920790247
                   -1 :               0.00014585919591
                   +0 :               0.00016792428209
                   +1 :              -0.00026722615049
                   +2 :              -0.00004025115825
              7 vec=     7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :               0.01281979065218
                   +1 :              -0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :              -0.00445075411106
                   +1 :               0.00317502748974
                3d
                   -2 :              -0.00012920790247
                   -1 :               0.00014585919591
                   +0 :              -0.00016792428209
                   +1 :              -0.00026722615049
                   +2 :               0.00004025115825
              8 vec=     7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :              -0.01281979065218
                   +1 :               0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :               0.00445075411106
                   +1 :              -0.00317502748974
                3d
                   -2 :              -0.00012920790247
                   -1 :               0.00014585919591
                   +0 :               0.00016792428209
                   +1 :               0.00026722615049
                   +2 :              -0.00004025115825
              9 vec=    -3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :              -0.00047641393621
                   +1 :              -0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :               0.00004638965332
                   +1 :               0.00015879148776
                3d
                   -2 :              -0.00006976186312
                   -1 :               0.00012495331439
                   +0 :              -0.00008138307079
                   +1 :               0.00002710564846
                   +2 :               0.00010710113360
             10 vec=    -3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :               0.00047641393621
                   +1 :               0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :              -0.00004638965332
                   +1 :              -0.00015879148776
                3d
                   -2 :              -0.00006976186312
                   -1 :               0.00012495331439
                   +0 :               0.00008138307079
                   +1 :              -0.00002710564846
                   +2 :              -0.00010710113360
             11 vec=     3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :              -0.00047641393621
                   +1 :               0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :               0.00004638965332
                   +1 :              -0.00015879148776
                3d
                   -2 :               0.00006976186312
                   -1 :               0.00012495331439
                   +0 :              -0.00008138307079
                   +1 :              -0.00002710564846
                   +2 :               0.00010710113360
             12 vec=     3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :               0.00047641393621
                   +1 :              -0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :              -0.00004638965332
                   +1 :               0.00015879148776
                3d
                   -2 :               0.00006976186312
                   -1 :               0.00012495331439
                   +0 :               0.00008138307079
                   +1 :               0.00002710564846
                   +2 :              -0.00010710113360
             13 vec=     0.000000    -10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00011672688634
                2s
                   +0 :              -0.00112071275944
                3s
                   +0 :               0.00017188173409
                2p
                   -1 :               0.00235957554586
                   +0 :               0.00004331150449
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00070211656570
                   +0 :               0.00016098126458
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00002919245033
                   +0 :               0.00004408155268
                   +1 :              -0.00000000000000
                   +2 :               0.00000063250030
             14 vec=     0.000000     10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00011672688634
                2s
                   +0 :               0.00112071275944
                3s
                   +0 :              -0.00017188173409
                2p
                   -1 :               0.00235957554586
                   +0 :              -0.00004331150449
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00070211656570
                   +0 :              -0.00016098126458
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00002919245033
                   +0 :              -0.00004408155268
                   +1 :              -0.00000000000000
                   +2 :              -0.00000063250030
             15 vec=   -10.719566      0.000000      7.951565   |vec|=   13.346778
                2p
                   -1 :              -0.00026520618869
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011866445553
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000540664290
                   -1 :              -0.00000162387991
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
             16 vec=    10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00026520618869
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011866445553
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000540664290
                   -1 :              -0.00000162387991
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             17 vec=    -7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :               0.00034348541980
                   +1 :               0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :              -0.00010998601363
                   +1 :              -0.00017646046578
                3d
                   -2 :               0.00000826834008
                   -1 :               0.00000736901790
                   +0 :               0.00001887715854
                   +1 :               0.00001077973966
                   +2 :               0.00001932751174
             18 vec=    -7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :              -0.00034348541980
                   +1 :              -0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :               0.00010998601363
                   +1 :               0.00017646046578
                3d
                   -2 :               0.00000826834008
                   -1 :               0.00000736901790
                   +0 :              -0.00001887715854
                   +1 :              -0.00001077973966
                   +2 :              -0.00001932751174
             19 vec=     7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :               0.00034348541980
                   +1 :              -0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :              -0.00010998601363
                   +1 :               0.00017646046578
                3d
                   -2 :              -0.00000826834008
                   -1 :               0.00000736901790
                   +0 :               0.00001887715854
                   +1 :              -0.00001077973966
                   +2 :               0.00001932751174
             20 vec=     7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :              -0.00034348541980
                   +1 :               0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :               0.00010998601363
                   +1 :              -0.00017646046578
                3d
                   -2 :              -0.00000826834008
                   -1 :               0.00000736901790
                   +0 :              -0.00001887715854
                   +1 :               0.00001077973966
                   +2 :              -0.00001932751174
             21 vec=   -10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :              -0.00044975539209
                   +1 :               0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :               0.00019320312622
                   +1 :              -0.00010223816293
                3d
                   -2 :              -0.00000076369417
                   -1 :               0.00000438440998
                   +0 :               0.00000432867283
                   +1 :              -0.00001377500994
                   +2 :               0.00001844808369
             22 vec=   -10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :               0.00044975539209
                   +1 :              -0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :              -0.00019320312622
                   +1 :               0.00010223816293
                3d
                   -2 :              -0.00000076369417
                   -1 :               0.00000438440998
                   +0 :              -0.00000432867283
                   +1 :               0.00001377500994
                   +2 :              -0.00001844808369
             23 vec=    10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :              -0.00044975539209
                   +1 :              -0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :               0.00019320312622
                   +1 :               0.00010223816293
                3d
                   -2 :               0.00000076369417
                   -1 :               0.00000438440998
                   +0 :               0.00000432867283
                   +1 :               0.00001377500994
                   +2 :               0.00001844808369
             24 vec=    10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :               0.00044975539209
                   +1 :               0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :              -0.00019320312622
                   +1 :              -0.00010223816293
                3d
                   -2 :               0.00000076369417
                   -1 :               0.00000438440998
                   +0 :              -0.00000432867283
                   +1 :              -0.00001377500994
                   +2 :              -0.00001844808369
             25 vec=   -14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :               0.00030117194110
                   +1 :              -0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :              -0.00000613549132
                   +1 :               0.00015870897434
                3d
                   -2 :               0.00001085160594
                   -1 :               0.00000286685734
                   +0 :               0.00002450514332
                   +1 :              -0.00001069365051
                   +2 :              -0.00001702155660
             26 vec=   -14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :              -0.00030117194110
                   +1 :               0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :               0.00000613549132
                   +1 :              -0.00015870897434
                3d
                   -2 :               0.00001085160594
                   -1 :               0.00000286685734
                   +0 :              -0.00002450514332
                   +1 :               0.00001069365051
                   +2 :               0.00001702155660
             27 vec=    14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :               0.00030117194110
                   +1 :               0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :              -0.00000613549132
                   +1 :              -0.00015870897434
                3d
                   -2 :              -0.00001085160594
                   -1 :               0.00000286685734
                   +0 :               0.00002450514332
                   +1 :               0.00001069365051
                   +2 :              -0.00001702155660
             28 vec=    14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :              -0.00030117194110
                   +1 :              -0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :               0.00000613549132
                   +1 :               0.00015870897434
                3d
                   -2 :              -0.00001085160594
                   -1 :               0.00000286685734
                   +0 :              -0.00002450514332
                   +1 :              -0.00001069365051
                   +2 :               0.00001702155660
             29 vec=    -3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :              -0.00029503719517
                   +1 :               0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :               0.00014853165678
                   +1 :              -0.00003455919217
                3d
                   -2 :               0.00002226969539
                   -1 :              -0.00001589972659
                   +0 :              -0.00002317475300
                   +1 :              -0.00002119981831
                   +2 :              -0.00000944760039
             30 vec=    -3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :               0.00029503719517
                   +1 :              -0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :              -0.00014853165678
                   +1 :               0.00003455919217
                3d
                   -2 :               0.00002226969539
                   -1 :              -0.00001589972659
                   +0 :               0.00002317475300
                   +1 :               0.00002119981831
                   +2 :               0.00000944760039
             31 vec=     3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :              -0.00029503719517
                   +1 :              -0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :               0.00014853165678
                   +1 :               0.00003455919217
                3d
                   -2 :              -0.00002226969539
                   -1 :              -0.00001589972659
                   +0 :              -0.00002317475300
                   +1 :               0.00002119981831
                   +2 :              -0.00000944760039
             32 vec=     3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :               0.00029503719517
                   +1 :               0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :              -0.00014853165678
                   +1 :              -0.00003455919217
                3d
                   -2 :              -0.00002226969539
                   -1 :              -0.00001589972659
                   +0 :               0.00002317475300
                   +1 :              -0.00002119981831
                   +2 :               0.00000944760039
             33 vec=    -3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00013997638516
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00007336307871
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000038355124
                   -1 :              -0.00000136238916
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             34 vec=     3.573189      0.000000    -17.084849   |vec|=   17.454505
                2p
                   -1 :              -0.00013997638516
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007336307871
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000038355124
                   -1 :              -0.00000136238916
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site O (  5)  npairs=  34
              1 vec=    -3.573189      0.000000     -4.566642   |vec|=    5.798439
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00620537697724
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00006630591043
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00003499719819
                   -1 :              -0.00037776972759
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=     3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00620537697724
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00006630591043
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00003499719819
                   -1 :              -0.00037776972759
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00049131754124
                2s
                   +0 :               0.01543436570516
                3s
                   +0 :              -0.00375572504222
                2p
                   -1 :              -0.01275900596672
                   +0 :               0.01496992927231
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00649454124432
                   +0 :              -0.00513878456585
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00047605724739
                   +0 :               0.00023349789824
                   +1 :              -0.00000000000000
                   +2 :               0.00031532922889
              4 vec=     0.000000      3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00049131754124
                2s
                   +0 :              -0.01543436570516
                3s
                   +0 :               0.00375572504222
                2p
                   -1 :              -0.01275900596672
                   +0 :              -0.01496992927231
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00649454124432
                   +0 :               0.00513878456585
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00047605724739
                   +0 :              -0.00023349789824
                   +1 :              -0.00000000000000
                   +2 :              -0.00031532922889
              5 vec=    -3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :               0.00113126291213
                   +1 :              -0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :               0.00070388959202
                   +1 :              -0.00045006021981
                3d
                   -2 :               0.00015855343359
                   -1 :              -0.00024147724960
                   +0 :              -0.00023256497942
                   +1 :               0.00022378565128
                   +2 :              -0.00005030750934
              6 vec=    -3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :              -0.00113126291213
                   +1 :               0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :              -0.00070388959202
                   +1 :               0.00045006021981
                3d
                   -2 :               0.00015855343359
                   -1 :              -0.00024147724960
                   +0 :               0.00023256497942
                   +1 :              -0.00022378565128
                   +2 :               0.00005030750934
              7 vec=     3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :               0.00113126291213
                   +1 :               0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :               0.00070388959202
                   +1 :               0.00045006021981
                3d
                   -2 :              -0.00015855343359
                   -1 :              -0.00024147724960
                   +0 :              -0.00023256497942
                   +1 :              -0.00022378565128
                   +2 :              -0.00005030750934
              8 vec=     3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :              -0.00113126291213
                   +1 :              -0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :              -0.00070388959202
                   +1 :              -0.00045006021981
                3d
                   -2 :              -0.00015855343359
                   -1 :              -0.00024147724960
                   +0 :               0.00023256497942
                   +1 :               0.00022378565128
                   +2 :               0.00005030750934
              9 vec=    -7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :              -0.00040553962983
                   +1 :               0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :              -0.00016840829518
                   +1 :              -0.00133232808187
                3d
                   -2 :              -0.00001976313620
                   -1 :               0.00006123831790
                   +0 :              -0.00005356738861
                   +1 :               0.00004224765630
                   +2 :              -0.00000439015935
             10 vec=    -7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :               0.00040553962983
                   +1 :              -0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :               0.00016840829518
                   +1 :               0.00133232808187
                3d
                   -2 :              -0.00001976313620
                   -1 :               0.00006123831790
                   +0 :               0.00005356738861
                   +1 :              -0.00004224765630
                   +2 :               0.00000439015935
             11 vec=     7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :              -0.00040553962983
                   +1 :              -0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :              -0.00016840829518
                   +1 :               0.00133232808187
                3d
                   -2 :               0.00001976313620
                   -1 :               0.00006123831790
                   +0 :              -0.00005356738861
                   +1 :              -0.00004224765630
                   +2 :              -0.00000439015935
             12 vec=     7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :               0.00040553962983
                   +1 :               0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :               0.00016840829518
                   +1 :              -0.00133232808187
                3d
                   -2 :               0.00001976313620
                   -1 :               0.00006123831790
                   +0 :               0.00005356738861
                   +1 :               0.00004224765630
                   +2 :               0.00000439015935
             13 vec=   -10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00137336590141
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00045283781187
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000059055594
                   -1 :              -0.00009335496487
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             14 vec=    10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00137336590141
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00045283781187
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000059055594
                   -1 :              -0.00009335496487
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             15 vec=     0.000000    -10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00004631380692
                2s
                   +0 :              -0.00149947513671
                3s
                   +0 :               0.00146603844224
                2p
                   -1 :               0.00300613810221
                   +0 :              -0.00250211773312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00265643390020
                   +0 :               0.00235002135198
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00045357245360
                   +0 :               0.00008841384282
                   +1 :               0.00000000000000
                   +2 :              -0.00020196175292
             16 vec=     0.000000     10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00004631380692
                2s
                   +0 :               0.00149947513671
                3s
                   +0 :              -0.00146603844224
                2p
                   -1 :               0.00300613810221
                   +0 :               0.00250211773312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00265643390020
                   +0 :              -0.00235002135198
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00045357245360
                   +0 :              -0.00008841384282
                   +1 :               0.00000000000000
                   +2 :               0.00020196175292
             17 vec=   -10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :               0.00041411656765
                   +1 :              -0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :              -0.00022232151057
                   +1 :               0.00027161907082
                3d
                   -2 :               0.00004069290485
                   -1 :               0.00004055083662
                   +0 :              -0.00002164727194
                   +1 :               0.00005239455742
                   +2 :               0.00001623312766
             18 vec=   -10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :              -0.00041411656765
                   +1 :               0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :               0.00022232151057
                   +1 :              -0.00027161907082
                3d
                   -2 :               0.00004069290485
                   -1 :               0.00004055083662
                   +0 :               0.00002164727194
                   +1 :              -0.00005239455742
                   +2 :              -0.00001623312766
             19 vec=    10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :               0.00041411656765
                   +1 :               0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :              -0.00022232151057
                   +1 :              -0.00027161907082
                3d
                   -2 :              -0.00004069290485
                   -1 :               0.00004055083662
                   +0 :              -0.00002164727194
                   +1 :              -0.00005239455742
                   +2 :               0.00001623312766
             20 vec=    10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :              -0.00041411656765
                   +1 :              -0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :               0.00022232151057
                   +1 :               0.00027161907082
                3d
                   -2 :              -0.00004069290485
                   -1 :               0.00004055083662
                   +0 :               0.00002164727194
                   +1 :               0.00005239455742
                   +2 :              -0.00001623312766
             21 vec=    -7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :              -0.00049755459408
                   +1 :              -0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :               0.00036600262495
                   +1 :               0.00017463507581
                3d
                   -2 :               0.00001920190065
                   -1 :              -0.00005985846111
                   +0 :               0.00001256045053
                   +1 :              -0.00000398453574
                   +2 :              -0.00001965855691
             22 vec=    -7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :               0.00049755459408
                   +1 :               0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :              -0.00036600262495
                   +1 :              -0.00017463507581
                3d
                   -2 :               0.00001920190065
                   -1 :              -0.00005985846111
                   +0 :              -0.00001256045053
                   +1 :               0.00000398453574
                   +2 :               0.00001965855691
             23 vec=     7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :              -0.00049755459408
                   +1 :               0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :               0.00036600262495
                   +1 :              -0.00017463507581
                3d
                   -2 :              -0.00001920190065
                   -1 :              -0.00005985846111
                   +0 :               0.00001256045053
                   +1 :               0.00000398453574
                   +2 :              -0.00001965855691
             24 vec=     7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :               0.00049755459408
                   +1 :              -0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :              -0.00036600262495
                   +1 :               0.00017463507581
                3d
                   -2 :              -0.00001920190065
                   -1 :              -0.00005985846111
                   +0 :              -0.00001256045053
                   +1 :              -0.00000398453574
                   +2 :               0.00001965855691
             25 vec=    -3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :               0.00050725286967
                   +1 :               0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :              -0.00038334045778
                   +1 :              -0.00002090461819
                3d
                   -2 :              -0.00000196109427
                   -1 :               0.00003622466942
                   +0 :               0.00002131352744
                   +1 :              -0.00000311786539
                   +2 :              -0.00001680306033
             26 vec=    -3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :              -0.00050725286967
                   +1 :              -0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :               0.00038334045778
                   +1 :               0.00002090461819
                3d
                   -2 :              -0.00000196109427
                   -1 :               0.00003622466942
                   +0 :              -0.00002131352744
                   +1 :               0.00000311786539
                   +2 :               0.00001680306033
             27 vec=     3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :               0.00050725286967
                   +1 :              -0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :              -0.00038334045778
                   +1 :               0.00002090461819
                3d
                   -2 :               0.00000196109427
                   -1 :               0.00003622466942
                   +0 :               0.00002131352744
                   +1 :               0.00000311786539
                   +2 :              -0.00001680306033
             28 vec=     3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :              -0.00050725286967
                   +1 :               0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :               0.00038334045778
                   +1 :              -0.00002090461819
                3d
                   -2 :               0.00000196109427
                   -1 :               0.00003622466942
                   +0 :              -0.00002131352744
                   +1 :              -0.00000311786539
                   +2 :               0.00001680306033
             29 vec=   -14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :               0.00002564163173
                   +1 :               0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :               0.00000698889704
                   +1 :              -0.00011491072231
                3d
                   -2 :               0.00000101880719
                   -1 :               0.00000362974287
                   +0 :               0.00000116988171
                   +1 :              -0.00000179727916
                   +2 :               0.00000342350985
             30 vec=   -14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :              -0.00002564163173
                   +1 :              -0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :              -0.00000698889704
                   +1 :               0.00011491072231
                3d
                   -2 :               0.00000101880719
                   -1 :               0.00000362974287
                   +0 :              -0.00000116988171
                   +1 :               0.00000179727916
                   +2 :              -0.00000342350985
             31 vec=    14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :               0.00002564163173
                   +1 :              -0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :               0.00000698889704
                   +1 :               0.00011491072231
                3d
                   -2 :              -0.00000101880719
                   -1 :               0.00000362974287
                   +0 :               0.00000116988171
                   +1 :               0.00000179727916
                   +2 :               0.00000342350985
             32 vec=    14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :              -0.00002564163173
                   +1 :               0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :              -0.00000698889704
                   +1 :              -0.00011491072231
                3d
                   -2 :              -0.00000101880719
                   -1 :               0.00000362974287
                   +0 :              -0.00000116988171
                   +1 :              -0.00000179727916
                   +2 :              -0.00000342350985
             33 vec=     0.000000     -3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002850852446
                2s
                   +0 :              -0.00036362627643
                3s
                   +0 :               0.00014113516485
                2p
                   -1 :              -0.00006645599236
                   +0 :               0.00023663508609
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003601807712
                   +0 :              -0.00011148625366
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000806752038
                   +0 :               0.00000287101926
                   +1 :              -0.00000000000000
                   +2 :              -0.00000199783724
             34 vec=     0.000000      3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002850852446
                2s
                   +0 :               0.00036362627643
                3s
                   +0 :              -0.00014113516485
                2p
                   -1 :              -0.00006645599236
                   +0 :              -0.00023663508609
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00003601807712
                   +0 :               0.00011148625366
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000806752038
                   +0 :              -0.00000287101926
                   +1 :               0.00000000000000
                   +2 :               0.00000199783724
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site O (  6)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.90226630595162
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.08473496410683
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00397415257071
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00138153115105
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00078726834708
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00020680682663
                   -1 :              -0.00008046800739
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00007419262405
                2s
                   +0 :              -0.00151270210835
                3s
                   +0 :               0.00125461950399
                2p
                   -1 :               0.00976655341709
                   +0 :               0.00444214756564
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00088364248672
                   +0 :              -0.00063388193839
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00009493102395
                   +0 :               0.00031565276228
                   +1 :               0.00000000000000
                   +2 :               0.00072904545160
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00007419262405
                2s
                   +0 :               0.00151270210835
                3s
                   +0 :              -0.00125461950399
                2p
                   -1 :               0.00976655341709
                   +0 :              -0.00444214756564
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00088364248672
                   +0 :               0.00063388193839
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00009493102395
                   +0 :              -0.00031565276228
                   +1 :               0.00000000000000
                   +2 :              -0.00072904545160
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00138153115105
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00078726834708
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00020680682663
                   -1 :              -0.00008046800739
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :              -0.00544086303785
                   +1 :               0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :               0.00105560627792
                   +1 :              -0.00072231956070
                3d
                   -2 :              -0.00023523258788
                   -1 :               0.00019601782366
                   +0 :               0.00005887903441
                   +1 :               0.00016349850541
                   +2 :              -0.00001039905780
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :               0.00544086303785
                   +1 :              -0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :              -0.00105560627792
                   +1 :               0.00072231956070
                3d
                   -2 :              -0.00023523258788
                   -1 :               0.00019601782366
                   +0 :              -0.00005887903441
                   +1 :              -0.00016349850541
                   +2 :               0.00001039905780
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :              -0.00544086303785
                   +1 :              -0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :               0.00105560627792
                   +1 :               0.00072231956070
                3d
                   -2 :               0.00023523258788
                   -1 :               0.00019601782366
                   +0 :               0.00005887903441
                   +1 :              -0.00016349850541
                   +2 :              -0.00001039905780
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :               0.00544086303785
                   +1 :               0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :              -0.00105560627792
                   +1 :              -0.00072231956070
                3d
                   -2 :               0.00023523258788
                   -1 :               0.00019601782366
                   +0 :              -0.00005887903441
                   +1 :               0.00016349850541
                   +2 :               0.00001039905780
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :              -0.00050472712685
                   +1 :              -0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :               0.00026579634234
                   +1 :              -0.00003711007244
                3d
                   -2 :               0.00000314170501
                   -1 :               0.00001502115464
                   +0 :              -0.00003962074189
                   +1 :               0.00002784826793
                   +2 :               0.00001073569750
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :              -0.00074096460973
                   +1 :              -0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :               0.00077767587223
                   +1 :              -0.00028421488656
                3d
                   -2 :               0.00002546242918
                   -1 :               0.00002734330251
                   +0 :               0.00006945916030
                   +1 :              -0.00004134941765
                   +2 :               0.00004959419741
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :               0.00050472712685
                   +1 :               0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :              -0.00026579634234
                   +1 :               0.00003711007244
                3d
                   -2 :               0.00000314170501
                   -1 :               0.00001502115464
                   +0 :               0.00003962074189
                   +1 :              -0.00002784826793
                   +2 :              -0.00001073569750
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :               0.00074096460973
                   +1 :               0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :              -0.00077767587223
                   +1 :               0.00028421488656
                3d
                   -2 :               0.00002546242918
                   -1 :               0.00002734330251
                   +0 :              -0.00006945916030
                   +1 :               0.00004134941765
                   +2 :              -0.00004959419741
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :              -0.00050472712685
                   +1 :               0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :               0.00026579634234
                   +1 :               0.00003711007244
                3d
                   -2 :              -0.00000314170501
                   -1 :               0.00001502115464
                   +0 :              -0.00003962074189
                   +1 :              -0.00002784826793
                   +2 :               0.00001073569750
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :              -0.00074096460973
                   +1 :               0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :               0.00077767587223
                   +1 :               0.00028421488656
                3d
                   -2 :              -0.00002546242918
                   -1 :               0.00002734330251
                   +0 :               0.00006945916030
                   +1 :               0.00004134941765
                   +2 :               0.00004959419741
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :               0.00050472712685
                   +1 :              -0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :              -0.00026579634234
                   +1 :              -0.00003711007244
                3d
                   -2 :              -0.00000314170501
                   -1 :               0.00001502115464
                   +0 :               0.00003962074189
                   +1 :               0.00002784826793
                   +2 :              -0.00001073569750
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :               0.00074096460973
                   +1 :              -0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :              -0.00077767587223
                   +1 :              -0.00028421488656
                3d
                   -2 :              -0.00002546242918
                   -1 :               0.00002734330251
                   +0 :              -0.00006945916030
                   +1 :              -0.00004134941765
                   +2 :              -0.00004959419741
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00035503737660
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00039304152709
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00008566132040
                   -1 :               0.00003000610029
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00001369271442
                2s
                   +0 :              -0.00043293321145
                3s
                   +0 :               0.00026193778737
                2p
                   -1 :               0.00039811659605
                   +0 :              -0.00041140668504
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00031483759056
                   +0 :               0.00020233260250
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00005042764449
                   +0 :              -0.00005468256601
                   +1 :               0.00000000000000
                   +2 :              -0.00001589300229
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00001369271442
                2s
                   +0 :               0.00043293321145
                3s
                   +0 :              -0.00026193778737
                2p
                   -1 :               0.00039811659605
                   +0 :               0.00041140668504
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00031483759056
                   +0 :              -0.00020233260250
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00005042764449
                   +0 :               0.00005468256601
                   +1 :               0.00000000000000
                   +2 :               0.00001589300229
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00035503737660
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00039304152709
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00008566132040
                   -1 :               0.00003000610029
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :               0.00006049749291
                   +1 :               0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :              -0.00000809294570
                   +1 :               0.00017227333145
                3d
                   -2 :              -0.00002389997054
                   -1 :               0.00001568154299
                   +0 :               0.00002801667949
                   +1 :               0.00001040226004
                   +2 :              -0.00006469158067
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :              -0.00006049749291
                   +1 :              -0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :               0.00000809294570
                   +1 :              -0.00017227333145
                3d
                   -2 :              -0.00002389997054
                   -1 :               0.00001568154299
                   +0 :              -0.00002801667949
                   +1 :              -0.00001040226004
                   +2 :               0.00006469158067
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :              -0.00007375270104
                   +1 :               0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :               0.00012347067216
                   +1 :              -0.00027242560586
                3d
                   -2 :               0.00002938296902
                   -1 :              -0.00002728329166
                   +0 :              -0.00001039338595
                   +1 :              -0.00001860455789
                   +2 :               0.00000343606807
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :               0.00007375270104
                   +1 :              -0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :              -0.00012347067216
                   +1 :               0.00027242560586
                3d
                   -2 :               0.00002938296902
                   -1 :              -0.00002728329166
                   +0 :               0.00001039338595
                   +1 :               0.00001860455789
                   +2 :              -0.00000343606807
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :              -0.00007375270104
                   +1 :              -0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :               0.00012347067216
                   +1 :               0.00027242560586
                3d
                   -2 :              -0.00002938296902
                   -1 :              -0.00002728329166
                   +0 :              -0.00001039338595
                   +1 :               0.00001860455789
                   +2 :               0.00000343606807
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :               0.00007375270104
                   +1 :               0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :              -0.00012347067216
                   +1 :              -0.00027242560586
                3d
                   -2 :              -0.00002938296902
                   -1 :              -0.00002728329166
                   +0 :               0.00001039338595
                   +1 :              -0.00001860455789
                   +2 :              -0.00000343606807
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :               0.00006049749291
                   +1 :              -0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :              -0.00000809294570
                   +1 :              -0.00017227333145
                3d
                   -2 :               0.00002389997054
                   -1 :               0.00001568154299
                   +0 :               0.00002801667949
                   +1 :              -0.00001040226004
                   +2 :              -0.00006469158067
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :              -0.00006049749291
                   +1 :               0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :               0.00000809294570
                   +1 :               0.00017227333145
                3d
                   -2 :               0.00002389997054
                   -1 :               0.00001568154299
                   +0 :              -0.00002801667949
                   +1 :               0.00001040226004
                   +2 :               0.00006469158067
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :               0.00008219193452
                   +1 :              -0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :               0.00021351748028
                   +1 :              -0.00011023482821
                3d
                   -2 :               0.00000318255968
                   -1 :               0.00000253166835
                   +0 :              -0.00003212931727
                   +1 :               0.00005158102906
                   +2 :               0.00000441920668
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :              -0.00029758532844
                   +1 :               0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :               0.00007565796920
                   +1 :              -0.00016614673294
                3d
                   -2 :               0.00000844116857
                   -1 :              -0.00000419272992
                   +0 :              -0.00001621405999
                   +1 :              -0.00000538258756
                   +2 :               0.00000288750342
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :              -0.00008219193452
                   +1 :               0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :              -0.00021351748028
                   +1 :               0.00011023482821
                3d
                   -2 :               0.00000318255968
                   -1 :               0.00000253166835
                   +0 :               0.00003212931727
                   +1 :              -0.00005158102906
                   +2 :              -0.00000441920668
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :               0.00029758532844
                   +1 :              -0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :              -0.00007565796920
                   +1 :               0.00016614673294
                3d
                   -2 :               0.00000844116857
                   -1 :              -0.00000419272992
                   +0 :               0.00001621405999
                   +1 :               0.00000538258756
                   +2 :              -0.00000288750342
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :               0.00046093431275
                   +1 :               0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :              -0.00024684614379
                   +1 :              -0.00002511000576
                3d
                   -2 :              -0.00000256209413
                   -1 :              -0.00001133924429
                   +0 :               0.00001833555859
                   +1 :               0.00000013040529
                   +2 :               0.00000348228634
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :               0.00014512399297
                   +1 :              -0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :              -0.00028779162208
                   +1 :              -0.00003611997011
                3d
                   -2 :               0.00002610034519
                   -1 :              -0.00000625708337
                   +0 :              -0.00003722792544
                   +1 :               0.00000215066171
                   +2 :               0.00002229812126
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :              -0.00046093431275
                   +1 :              -0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :               0.00024684614379
                   +1 :               0.00002511000576
                3d
                   -2 :              -0.00000256209413
                   -1 :              -0.00001133924429
                   +0 :              -0.00001833555859
                   +1 :              -0.00000013040529
                   +2 :              -0.00000348228634
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :              -0.00014512399297
                   +1 :               0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :               0.00028779162208
                   +1 :               0.00003611997011
                3d
                   -2 :               0.00002610034519
                   -1 :              -0.00000625708337
                   +0 :               0.00003722792544
                   +1 :              -0.00000215066171
                   +2 :              -0.00002229812126
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :               0.00046093431275
                   +1 :              -0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :              -0.00024684614379
                   +1 :               0.00002511000576
                3d
                   -2 :               0.00000256209413
                   -1 :              -0.00001133924429
                   +0 :               0.00001833555859
                   +1 :              -0.00000013040529
                   +2 :               0.00000348228634
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :               0.00014512399297
                   +1 :               0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :              -0.00028779162208
                   +1 :               0.00003611997011
                3d
                   -2 :              -0.00002610034519
                   -1 :              -0.00000625708337
                   +0 :              -0.00003722792544
                   +1 :              -0.00000215066171
                   +2 :               0.00002229812126
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :              -0.00046093431275
                   +1 :               0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :               0.00024684614379
                   +1 :              -0.00002511000576
                3d
                   -2 :               0.00000256209413
                   -1 :              -0.00001133924429
                   +0 :              -0.00001833555859
                   +1 :               0.00000013040529
                   +2 :              -0.00000348228634
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :              -0.00014512399297
                   +1 :              -0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :               0.00028779162208
                   +1 :              -0.00003611997011
                3d
                   -2 :              -0.00002610034519
                   -1 :              -0.00000625708337
                   +0 :               0.00003722792544
                   +1 :               0.00000215066171
                   +2 :              -0.00002229812126
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :               0.00008219193452
                   +1 :               0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :               0.00021351748028
                   +1 :               0.00011023482821
                3d
                   -2 :              -0.00000318255968
                   -1 :               0.00000253166835
                   +0 :              -0.00003212931727
                   +1 :              -0.00005158102906
                   +2 :               0.00000441920668
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :              -0.00029758532844
                   +1 :              -0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :               0.00007565796920
                   +1 :               0.00016614673294
                3d
                   -2 :              -0.00000844116857
                   -1 :              -0.00000419272992
                   +0 :              -0.00001621405999
                   +1 :               0.00000538258756
                   +2 :               0.00000288750342
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :              -0.00008219193452
                   +1 :              -0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :              -0.00021351748028
                   +1 :              -0.00011023482821
                3d
                   -2 :              -0.00000318255968
                   -1 :               0.00000253166835
                   +0 :               0.00003212931727
                   +1 :               0.00005158102906
                   +2 :              -0.00000441920668
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :               0.00029758532844
                   +1 :               0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :              -0.00007565796920
                   +1 :              -0.00016614673294
                3d
                   -2 :              -0.00000844116857
                   -1 :              -0.00000419272992
                   +0 :               0.00001621405999
                   +1 :              -0.00000538258756
                   +2 :              -0.00000288750342
WF             site_B          number of pairs
WF( 12)=[O 2p-1]  to site O (  7)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :              -0.00357213104008
                   +1 :               0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :              -0.00182636760781
                   +1 :              -0.00270198006745
                3d
                   -2 :              -0.00037089460229
                   -1 :               0.00054333311496
                   +0 :               0.00107417192705
                   +1 :               0.00068165824141
                   +2 :              -0.00050762793104
              2 vec=    -3.573189      3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :               0.00357213104008
                   +1 :              -0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :               0.00182636760781
                   +1 :               0.00270198006745
                3d
                   -2 :              -0.00037089460229
                   -1 :               0.00054333311496
                   +0 :              -0.00107417192705
                   +1 :              -0.00068165824141
                   +2 :               0.00050762793104
              3 vec=     3.573189     -3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :              -0.00357213104008
                   +1 :              -0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :              -0.00182636760781
                   +1 :               0.00270198006745
                3d
                   -2 :               0.00037089460229
                   -1 :               0.00054333311496
                   +0 :               0.00107417192705
                   +1 :              -0.00068165824141
                   +2 :              -0.00050762793104
              4 vec=     3.573189      3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :               0.00357213104008
                   +1 :               0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :               0.00182636760781
                   +1 :              -0.00270198006745
                3d
                   -2 :               0.00037089460229
                   -1 :               0.00054333311496
                   +0 :              -0.00107417192705
                   +1 :               0.00068165824141
                   +2 :               0.00050762793104
              5 vec=     0.000000      0.000000     -9.133284   |vec|=    9.133284
                2p
                   -1 :              -0.00152548743043
                3p
                   -1 :               0.00030703512699
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00016541369879
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              6 vec=    -7.146377      0.000000     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00164850909627
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00021388529016
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00004020416405
                   -1 :               0.00006691002967
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              7 vec=     0.000000     -7.146377     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00013524117811
                2s
                   +0 :              -0.00235468339529
                3s
                   +0 :               0.00036743013505
                2p
                   -1 :               0.00124792683851
                   +0 :               0.00316421371140
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00012866755442
                   +0 :              -0.00044523642921
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00007968510605
                   +0 :              -0.00006977404356
                   +1 :               0.00000000000000
                   +2 :              -0.00001028314716
              8 vec=     0.000000      7.146377     -9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00013524117811
                2s
                   +0 :               0.00235468339529
                3s
                   +0 :              -0.00036743013505
                2p
                   -1 :               0.00124792683851
                   +0 :              -0.00316421371140
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00012866755442
                   +0 :               0.00044523642921
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00007968510605
                   +0 :               0.00006977404356
                   +1 :              -0.00000000000000
                   +2 :               0.00001028314716
              9 vec=     7.146377      0.000000     -9.133284   |vec|=   11.596878
                2p
                   -1 :              -0.00164850909627
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00021388529016
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00004020416405
                   -1 :               0.00006691002967
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             10 vec=   -10.719566     -3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :              -0.00033514341966
                   +1 :               0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :               0.00014258442106
                   +1 :               0.00010496229748
                3d
                   -2 :              -0.00004527118398
                   -1 :              -0.00001649414875
                   +0 :               0.00004286822457
                   +1 :               0.00002001787709
                   +2 :               0.00001474668708
             11 vec=   -10.719566      3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :               0.00033514341966
                   +1 :              -0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :              -0.00014258442106
                   +1 :              -0.00010496229748
                3d
                   -2 :              -0.00004527118398
                   -1 :              -0.00001649414875
                   +0 :              -0.00004286822457
                   +1 :              -0.00002001787709
                   +2 :              -0.00001474668708
             12 vec=    -3.573189    -10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :               0.00041253166531
                   +1 :              -0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :              -0.00039306021235
                   +1 :              -0.00008183457000
                3d
                   -2 :              -0.00002801986389
                   -1 :               0.00003883995336
                   +0 :              -0.00001520011499
                   +1 :               0.00000157924434
                   +2 :               0.00007135955994
             13 vec=    -3.573189     10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :              -0.00041253166531
                   +1 :               0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :               0.00039306021235
                   +1 :               0.00008183457000
                3d
                   -2 :              -0.00002801986389
                   -1 :               0.00003883995336
                   +0 :               0.00001520011499
                   +1 :              -0.00000157924434
                   +2 :              -0.00007135955994
             14 vec=     3.573189    -10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :               0.00041253166531
                   +1 :               0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :              -0.00039306021235
                   +1 :               0.00008183457000
                3d
                   -2 :               0.00002801986389
                   -1 :               0.00003883995336
                   +0 :              -0.00001520011499
                   +1 :              -0.00000157924434
                   +2 :               0.00007135955994
             15 vec=     3.573189     10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :              -0.00041253166531
                   +1 :              -0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :               0.00039306021235
                   +1 :              -0.00008183457000
                3d
                   -2 :               0.00002801986389
                   -1 :               0.00003883995336
                   +0 :               0.00001520011499
                   +1 :               0.00000157924434
                   +2 :              -0.00007135955994
             16 vec=    10.719566     -3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :              -0.00033514341966
                   +1 :              -0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :               0.00014258442106
                   +1 :              -0.00010496229748
                3d
                   -2 :               0.00004527118398
                   -1 :              -0.00001649414875
                   +0 :               0.00004286822457
                   +1 :              -0.00002001787709
                   +2 :               0.00001474668708
             17 vec=    10.719566      3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :               0.00033514341966
                   +1 :               0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :              -0.00014258442106
                   +1 :               0.00010496229748
                3d
                   -2 :               0.00004527118398
                   -1 :              -0.00001649414875
                   +0 :              -0.00004286822457
                   +1 :               0.00002001787709
                   +2 :              -0.00001474668708
             18 vec=    -7.146377     -7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :              -0.00051035003439
                   +1 :               0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :               0.00057533830049
                   +1 :              -0.00016503106517
                3d
                   -2 :               0.00000842569363
                   -1 :              -0.00001969138335
                   +0 :              -0.00005023603258
                   +1 :               0.00001416093278
                   +2 :               0.00000692114096
             19 vec=    -7.146377      7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :               0.00051035003439
                   +1 :              -0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :              -0.00057533830049
                   +1 :               0.00016503106517
                3d
                   -2 :               0.00000842569363
                   -1 :              -0.00001969138335
                   +0 :               0.00005023603258
                   +1 :              -0.00001416093278
                   +2 :              -0.00000692114096
             20 vec=     7.146377     -7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :              -0.00051035003439
                   +1 :              -0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :               0.00057533830049
                   +1 :               0.00016503106517
                3d
                   -2 :              -0.00000842569363
                   -1 :              -0.00001969138335
                   +0 :              -0.00005023603258
                   +1 :              -0.00001416093278
                   +2 :               0.00000692114096
             21 vec=     7.146377      7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :               0.00051035003439
                   +1 :               0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :              -0.00057533830049
                   +1 :              -0.00016503106517
                3d
                   -2 :              -0.00000842569363
                   -1 :              -0.00001969138335
                   +0 :               0.00005023603258
                   +1 :               0.00001416093278
                   +2 :              -0.00000692114096
             22 vec=   -10.719566    -10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :               0.00015512320633
                   +1 :               0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :              -0.00020997387855
                   +1 :              -0.00026035405424
                3d
                   -2 :               0.00000003444014
                   -1 :               0.00004989160637
                   +0 :               0.00003083282364
                   +1 :               0.00005653466864
                   +2 :               0.00002539720311
             23 vec=   -10.719566     10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :              -0.00015512320633
                   +1 :              -0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :               0.00020997387855
                   +1 :               0.00026035405424
                3d
                   -2 :               0.00000003444014
                   -1 :               0.00004989160637
                   +0 :              -0.00003083282364
                   +1 :              -0.00005653466864
                   +2 :              -0.00002539720311
             24 vec=    10.719566    -10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :               0.00015512320633
                   +1 :              -0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :              -0.00020997387855
                   +1 :               0.00026035405424
                3d
                   -2 :              -0.00000003444014
                   -1 :               0.00004989160637
                   +0 :               0.00003083282364
                   +1 :              -0.00005653466864
                   +2 :               0.00002539720311
             25 vec=    10.719566     10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :              -0.00015512320633
                   +1 :               0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :               0.00020997387855
                   +1 :              -0.00026035405424
                3d
                   -2 :              -0.00000003444014
                   -1 :               0.00004989160637
                   +0 :              -0.00003083282364
                   +1 :               0.00005653466864
                   +2 :              -0.00002539720311
             26 vec=     0.000000      0.000000     15.903130   |vec|=   15.903130
                2p
                   -1 :              -0.00106519553694
                3p
                   -1 :               0.00074130063029
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00009736124028
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             27 vec=   -14.292755      0.000000     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00061111239304
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00009993218954
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00003764000960
                   -1 :              -0.00001476652743
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             28 vec=     0.000000    -14.292755     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00001537867931
                2s
                   +0 :              -0.00031188733239
                3s
                   +0 :               0.00013753572505
                2p
                   -1 :               0.00020229960862
                   +0 :              -0.00010479689033
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00018831952725
                   +0 :               0.00011920441852
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001449886128
                   +0 :              -0.00001023954382
                   +1 :               0.00000000000000
                   +2 :              -0.00002256792892
             29 vec=     0.000000     14.292755     -9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00001537867931
                2s
                   +0 :               0.00031188733239
                3s
                   +0 :              -0.00013753572505
                2p
                   -1 :               0.00020229960862
                   +0 :               0.00010479689033
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00018831952725
                   +0 :              -0.00011920441852
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001449886128
                   +0 :               0.00001023954382
                   +1 :              -0.00000000000000
                   +2 :               0.00002256792892
             30 vec=    14.292755      0.000000     -9.133284   |vec|=   16.961713
                2p
                   -1 :              -0.00061111239304
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00009993218954
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00003764000960
                   -1 :              -0.00001476652743
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             31 vec=    -7.146377      0.000000     15.903130   |vec|=   17.435030
                2p
                   -1 :               0.00005363173041
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007029984125
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000988481964
                   -1 :               0.00002164135707
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
             32 vec=     0.000000     -7.146377     15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00001577595854
                2s
                   +0 :              -0.00009763106442
                3s
                   +0 :               0.00017294139498
                2p
                   -1 :               0.00052680594657
                   +0 :               0.00018096369276
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00001660310129
                   +0 :               0.00022341053703
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00004112425818
                   +0 :               0.00003236264553
                   +1 :              -0.00000000000000
                   +2 :              -0.00000142720711
             33 vec=     0.000000      7.146377     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00001577595854
                2s
                   +0 :               0.00009763106442
                3s
                   +0 :              -0.00017294139498
                2p
                   -1 :               0.00052680594657
                   +0 :              -0.00018096369276
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00001660310129
                   +0 :              -0.00022341053703
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00004112425818
                   +0 :              -0.00003236264553
                   +1 :               0.00000000000000
                   +2 :               0.00000142720711
             34 vec=     7.146377      0.000000     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00005363173041
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00007029984125
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000988481964
                   -1 :               0.00002164135707
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site La(  1)  npairs=  41
              1 vec=     0.000000      0.000000      4.446467   |vec|=    4.446467
                5s
                   +0 :              -0.10406398822612
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.23705003075712
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.02353941195633
                7s
                   +0 :              -0.00433239448147
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.17100582984849
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.01697514251720
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00098180724824
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.08921858711870
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00053471753333
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00057110153218
                   +1 :              -0.00090944075279
                6s
                   +0 :              -0.00164632678344
                7s
                   +0 :               0.00036648994874
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00286809948802
                   +1 :              -0.00047186717043
                   +2 :              -0.00138189895286
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00076538004120
                   +1 :               0.00134873201976
                   +2 :              -0.00049870799843
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00049972824347
                   +1 :              -0.00023067673607
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00110396291209
                   +1 :               0.00081284890324
                   +2 :              -0.00007031622513
                   +3 :              -0.00115241330333
              3 vec=     0.000000     -7.146377      4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00053471753333
                5p
                   -1 :              -0.00090944075279
                   +0 :               0.00057110153218
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00164632678344
                7s
                   +0 :               0.00036648994874
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00047186717043
                   +0 :               0.00286809948802
                   +1 :               0.00000000000000
                   +2 :               0.00138189895286
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00134873201976
                   +0 :              -0.00076538004120
                   +1 :              -0.00000000000000
                   +2 :               0.00049870799843
                6p
                   -1 :              -0.00023067673607
                   +0 :              -0.00049972824347
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00115241330333
                   -1 :               0.00081284890324
                   +0 :               0.00110396291209
                   +1 :              -0.00000000000000
                   +2 :               0.00007031622513
                   +3 :              -0.00000000000000
              4 vec=     0.000000      7.146377      4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00053471753333
                5p
                   -1 :               0.00090944075279
                   +0 :               0.00057110153218
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00164632678344
                7s
                   +0 :               0.00036648994874
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00047186717043
                   +0 :               0.00286809948802
                   +2 :               0.00138189895286
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00134873201976
                   +0 :              -0.00076538004120
                   +1 :               0.00000000000000
                   +2 :               0.00049870799843
                6p
                   -1 :               0.00023067673607
                   +0 :              -0.00049972824347
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00115241330333
                   -2 :              -0.00000000000000
                   -1 :              -0.00081284890324
                   +0 :               0.00110396291209
                   +1 :               0.00000000000000
                   +2 :               0.00007031622513
                   +3 :               0.00000000000000
              5 vec=     7.146377      0.000000      4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00053471753333
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00057110153218
                   +1 :               0.00090944075279
                6s
                   +0 :              -0.00164632678344
                7s
                   +0 :               0.00036648994874
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00286809948802
                   +1 :               0.00047186717043
                   +2 :              -0.00138189895286
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00076538004120
                   +1 :              -0.00134873201976
                   +2 :              -0.00049870799843
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00049972824347
                   +1 :               0.00023067673607
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00110396291209
                   +1 :              -0.00081284890324
                   +2 :              -0.00007031622513
                   +3 :               0.00115241330333
              6 vec=    -3.573189     -3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00073132759824
                5p
                   -1 :               0.00111138717859
                   +0 :               0.00172681154706
                   +1 :               0.00111138717859
                6s
                   +0 :               0.00113740116284
                7s
                   +0 :              -0.00031819484173
                5d
                   -2 :               0.00599721233563
                   -1 :              -0.00072715084654
                   +0 :               0.00281623680683
                   +1 :              -0.00072715084654
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00057255301370
                   -1 :               0.00016377047484
                   +0 :              -0.00023635767047
                   +1 :               0.00016377047484
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00001148679557
                   +0 :               0.00055917259430
                   +1 :               0.00001148679557
                4f
                   -3 :               0.00250849266585
                   -2 :               0.00392524908915
                   -1 :               0.00076720077173
                   +0 :               0.00166458542966
                   +1 :               0.00076720077173
                   +2 :              -0.00000000000000
                   +3 :              -0.00250849266585
              7 vec=    -3.573189      3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00073132759824
                5p
                   -1 :              -0.00111138717859
                   +0 :               0.00172681154706
                   +1 :               0.00111138717859
                6s
                   +0 :               0.00113740116284
                7s
                   +0 :              -0.00031819484173
                5d
                   -2 :              -0.00599721233563
                   -1 :               0.00072715084654
                   +0 :               0.00281623680683
                   +1 :              -0.00072715084654
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00057255301370
                   -1 :              -0.00016377047484
                   +0 :              -0.00023635767047
                   +1 :               0.00016377047484
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001148679557
                   +0 :               0.00055917259430
                   +1 :               0.00001148679557
                4f
                   -3 :              -0.00250849266585
                   -2 :              -0.00392524908915
                   -1 :              -0.00076720077173
                   +0 :               0.00166458542966
                   +1 :               0.00076720077173
                   +2 :               0.00000000000000
                   +3 :              -0.00250849266585
              8 vec=     3.573189     -3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00073132759824
                5p
                   -1 :               0.00111138717859
                   +0 :               0.00172681154706
                   +1 :              -0.00111138717859
                6s
                   +0 :               0.00113740116284
                7s
                   +0 :              -0.00031819484173
                5d
                   -2 :              -0.00599721233563
                   -1 :              -0.00072715084654
                   +0 :               0.00281623680683
                   +1 :               0.00072715084654
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00057255301370
                   -1 :               0.00016377047484
                   +0 :              -0.00023635767047
                   +1 :              -0.00016377047484
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001148679557
                   +0 :               0.00055917259430
                   +1 :              -0.00001148679557
                4f
                   -3 :               0.00250849266585
                   -2 :              -0.00392524908915
                   -1 :               0.00076720077173
                   +0 :               0.00166458542966
                   +1 :              -0.00076720077173
                   +2 :               0.00000000000000
                   +3 :               0.00250849266585
              9 vec=     3.573189      3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00073132759824
                5p
                   -1 :              -0.00111138717859
                   +0 :               0.00172681154706
                   +1 :              -0.00111138717859
                6s
                   +0 :               0.00113740116284
                7s
                   +0 :              -0.00031819484173
                5d
                   -2 :               0.00599721233563
                   -1 :               0.00072715084654
                   +0 :               0.00281623680683
                   +1 :               0.00072715084654
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00057255301370
                   -1 :              -0.00016377047484
                   +0 :              -0.00023635767047
                   +1 :              -0.00016377047484
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001148679557
                   +0 :               0.00055917259430
                   +1 :              -0.00001148679557
                4f
                   -3 :              -0.00250849266585
                   -2 :               0.00392524908915
                   -1 :              -0.00076720077173
                   +0 :               0.00166458542966
                   +1 :              -0.00076720077173
                   +2 :              -0.00000000000000
                   +3 :               0.00250849266585
             10 vec=    -7.146377     -7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00032117487629
                5p
                   -1 :              -0.00000463311825
                   +0 :               0.00045104337889
                   +1 :              -0.00000463311825
                6s
                   +0 :              -0.00014581048117
                7s
                   +0 :               0.00016186331879
                5d
                   -2 :               0.00127740559163
                   -1 :               0.00051810350355
                   +0 :              -0.00194683133951
                   +1 :               0.00051810350355
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00046644964320
                   -1 :              -0.00022874691444
                   +0 :               0.00061105503483
                   +1 :              -0.00022874691444
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000374261304
                   +0 :               0.00059132787084
                   +1 :              -0.00000374261304
                4f
                   -3 :               0.00030979766361
                   -2 :               0.00029524097905
                   -1 :               0.00000314490826
                   +0 :               0.00009065019264
                   +1 :               0.00000314490826
                   +2 :              -0.00000000000000
                   +3 :              -0.00030979766361
             11 vec=    -7.146377      7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00032117487629
                5p
                   -1 :               0.00000463311825
                   +0 :               0.00045104337889
                   +1 :              -0.00000463311825
                6s
                   +0 :              -0.00014581048117
                7s
                   +0 :               0.00016186331879
                5d
                   -2 :              -0.00127740559163
                   -1 :              -0.00051810350355
                   +0 :              -0.00194683133951
                   +1 :               0.00051810350355
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00046644964320
                   -1 :               0.00022874691444
                   +0 :               0.00061105503483
                   +1 :              -0.00022874691444
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000374261304
                   +0 :               0.00059132787084
                   +1 :              -0.00000374261304
                4f
                   -3 :              -0.00030979766361
                   -2 :              -0.00029524097905
                   -1 :              -0.00000314490826
                   +0 :               0.00009065019264
                   +1 :               0.00000314490826
                   +2 :              -0.00000000000000
                   +3 :              -0.00030979766361
             12 vec=     7.146377     -7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00032117487629
                5p
                   -1 :              -0.00000463311825
                   +0 :               0.00045104337889
                   +1 :               0.00000463311825
                6s
                   +0 :              -0.00014581048117
                7s
                   +0 :               0.00016186331879
                5d
                   -2 :              -0.00127740559163
                   -1 :               0.00051810350355
                   +0 :              -0.00194683133951
                   +1 :              -0.00051810350355
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00046644964320
                   -1 :              -0.00022874691444
                   +0 :               0.00061105503483
                   +1 :               0.00022874691444
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000374261304
                   +0 :               0.00059132787084
                   +1 :               0.00000374261304
                4f
                   -3 :               0.00030979766361
                   -2 :              -0.00029524097905
                   -1 :               0.00000314490826
                   +0 :               0.00009065019264
                   +1 :              -0.00000314490826
                   +2 :               0.00000000000000
                   +3 :               0.00030979766361
             13 vec=     7.146377      7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00032117487629
                5p
                   -1 :               0.00000463311825
                   +0 :               0.00045104337889
                   +1 :               0.00000463311825
                6s
                   +0 :              -0.00014581048117
                7s
                   +0 :               0.00016186331879
                5d
                   -2 :               0.00127740559163
                   -1 :              -0.00051810350355
                   +0 :              -0.00194683133951
                   +1 :              -0.00051810350355
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00046644964320
                   -1 :               0.00022874691444
                   +0 :               0.00061105503483
                   +1 :               0.00022874691444
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000374261304
                   +0 :               0.00059132787084
                   +1 :               0.00000374261304
                4f
                   -3 :              -0.00030979766361
                   -2 :               0.00029524097905
                   -1 :              -0.00000314490826
                   +0 :               0.00009065019264
                   +1 :              -0.00000314490826
                   +2 :               0.00000000000000
                   +3 :               0.00030979766361
             14 vec=   -10.719566     -3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :              -0.00023625427715
                   +0 :               0.00036311014355
                   +1 :               0.00009914292301
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :               0.00064360204625
                   +0 :              -0.00040088054544
                   +1 :              -0.00027906878452
                   +2 :               0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :              -0.00007850069280
                   +0 :               0.00028261874577
                   +1 :               0.00029388621328
                   +2 :               0.00010521494298
                6p
                   -1 :              -0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :              -0.00024225964832
                4f
                   -3 :               0.00014415176196
                   -2 :               0.00024457668780
                   -1 :              -0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :              -0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :               0.00034110108135
             15 vec=   -10.719566      3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :               0.00023625427715
                   +0 :               0.00036311014355
                   +1 :               0.00009914292301
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :              -0.00064360204625
                   +0 :              -0.00040088054544
                   +1 :              -0.00027906878452
                   +2 :               0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :               0.00007850069280
                   +0 :               0.00028261874577
                   +1 :               0.00029388621328
                   +2 :               0.00010521494298
                6p
                   -1 :               0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :              -0.00024225964832
                4f
                   -3 :              -0.00014415176196
                   -2 :              -0.00024457668780
                   -1 :               0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :              -0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :               0.00034110108135
             16 vec=    -3.573189    -10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :               0.00009914292301
                   +0 :               0.00036311014355
                   +1 :              -0.00023625427715
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :              -0.00027906878452
                   +0 :              -0.00040088054544
                   +1 :               0.00064360204625
                   +2 :              -0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :               0.00029388621328
                   +0 :               0.00028261874577
                   +1 :              -0.00007850069280
                   +2 :              -0.00010521494298
                6p
                   -1 :              -0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :              -0.00007323583832
                4f
                   -3 :              -0.00034110108135
                   -2 :               0.00024457668780
                   -1 :              -0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :              -0.00001893863796
                   +2 :               0.00009759144614
                   +3 :              -0.00014415176196
             17 vec=    -3.573189     10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :              -0.00009914292301
                   +0 :               0.00036311014355
                   +1 :              -0.00023625427715
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :               0.00027906878452
                   +0 :              -0.00040088054544
                   +1 :               0.00064360204625
                   +2 :              -0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :              -0.00029388621328
                   +0 :               0.00028261874577
                   +1 :              -0.00007850069280
                   +2 :              -0.00010521494298
                6p
                   -1 :               0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :              -0.00007323583832
                4f
                   -3 :               0.00034110108135
                   -2 :              -0.00024457668780
                   -1 :               0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :              -0.00001893863796
                   +2 :               0.00009759144614
                   +3 :              -0.00014415176196
             18 vec=     3.573189    -10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :               0.00009914292301
                   +0 :               0.00036311014355
                   +1 :               0.00023625427715
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :              -0.00027906878452
                   +0 :              -0.00040088054544
                   +1 :              -0.00064360204625
                   +2 :              -0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :               0.00029388621328
                   +0 :               0.00028261874577
                   +1 :               0.00007850069280
                   +2 :              -0.00010521494298
                6p
                   -1 :              -0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :               0.00007323583832
                4f
                   -3 :              -0.00034110108135
                   -2 :              -0.00024457668780
                   -1 :              -0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :               0.00001893863796
                   +2 :               0.00009759144614
                   +3 :               0.00014415176196
             19 vec=     3.573189     10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :              -0.00009914292301
                   +0 :               0.00036311014355
                   +1 :               0.00023625427715
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :               0.00027906878452
                   +0 :              -0.00040088054544
                   +1 :              -0.00064360204625
                   +2 :              -0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :              -0.00029388621328
                   +0 :               0.00028261874577
                   +1 :               0.00007850069280
                   +2 :              -0.00010521494298
                6p
                   -1 :               0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :               0.00007323583832
                4f
                   -3 :               0.00034110108135
                   -2 :               0.00024457668780
                   -1 :               0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :               0.00001893863796
                   +2 :               0.00009759144614
                   +3 :               0.00014415176196
             20 vec=    10.719566     -3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :              -0.00023625427715
                   +0 :               0.00036311014355
                   +1 :              -0.00009914292301
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :               0.00064360204625
                   +0 :              -0.00040088054544
                   +1 :               0.00027906878452
                   +2 :               0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :              -0.00007850069280
                   +0 :               0.00028261874577
                   +1 :              -0.00029388621328
                   +2 :               0.00010521494298
                6p
                   -1 :              -0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :               0.00024225964832
                4f
                   -3 :               0.00014415176196
                   -2 :              -0.00024457668780
                   -1 :              -0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :               0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :              -0.00034110108135
             21 vec=    10.719566      3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00050311390714
                5p
                   -1 :               0.00023625427715
                   +0 :               0.00036311014355
                   +1 :              -0.00009914292301
                6s
                   +0 :               0.00109878203337
                7s
                   +0 :              -0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :              -0.00064360204625
                   +0 :              -0.00040088054544
                   +1 :               0.00027906878452
                   +2 :               0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :               0.00007850069280
                   +0 :               0.00028261874577
                   +1 :              -0.00029388621328
                   +2 :               0.00010521494298
                6p
                   -1 :               0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :               0.00024225964832
                4f
                   -3 :              -0.00014415176196
                   -2 :               0.00024457668780
                   -1 :               0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :               0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :              -0.00034110108135
             22 vec=   -14.292755      0.000000      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00007649736299
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00003847176815
                   +1 :              -0.00008985365501
                6s
                   +0 :              -0.00008204473534
                7s
                   +0 :               0.00000699451744
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00011626755041
                   +1 :               0.00002367575224
                   +2 :              -0.00003035927330
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003887650758
                   +1 :              -0.00004213854746
                   +2 :              -0.00000291269551
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00003431523321
                   +1 :               0.00001472056698
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004680483285
                   +1 :              -0.00013359167044
                   +2 :               0.00002394628951
                   +3 :               0.00006275840141
             23 vec=     0.000000    -14.292755      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00007649736299
                5p
                   -1 :              -0.00008985365501
                   +0 :               0.00003847176815
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00008204473534
                7s
                   +0 :               0.00000699451744
                5d
                   -1 :               0.00002367575224
                   +0 :              -0.00011626755041
                   +1 :               0.00000000000000
                   +2 :               0.00003035927330
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00004213854746
                   +0 :               0.00003887650758
                   +1 :               0.00000000000000
                   +2 :               0.00000291269551
                6p
                   -1 :               0.00001472056698
                   +0 :              -0.00003431523321
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00006275840141
                   -2 :               0.00000000000000
                   -1 :              -0.00013359167044
                   +0 :              -0.00004680483285
                   +1 :               0.00000000000000
                   +2 :              -0.00002394628951
                   +3 :               0.00000000000000
             24 vec=     0.000000     14.292755      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00007649736299
                5p
                   -1 :               0.00008985365501
                   +0 :               0.00003847176815
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00008204473534
                7s
                   +0 :               0.00000699451744
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00002367575224
                   +0 :              -0.00011626755041
                   +1 :              -0.00000000000000
                   +2 :               0.00003035927330
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00004213854746
                   +0 :               0.00003887650758
                   +1 :              -0.00000000000000
                   +2 :               0.00000291269551
                6p
                   -1 :              -0.00001472056698
                   +0 :              -0.00003431523321
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00006275840141
                   -2 :              -0.00000000000000
                   -1 :               0.00013359167044
                   +0 :              -0.00004680483285
                   +1 :              -0.00000000000000
                   +2 :              -0.00002394628951
                   +3 :               0.00000000000000
             25 vec=    14.292755      0.000000      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00007649736299
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00003847176815
                   +1 :               0.00008985365501
                6s
                   +0 :              -0.00008204473534
                7s
                   +0 :               0.00000699451744
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011626755041
                   +1 :              -0.00002367575224
                   +2 :              -0.00003035927330
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00003887650758
                   +1 :               0.00004213854746
                   +2 :              -0.00000291269551
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00003431523321
                   +1 :              -0.00001472056698
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004680483285
                   +1 :               0.00013359167044
                   +2 :               0.00002394628951
                   +3 :              -0.00006275840141
             26 vec=   -14.292755     -7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :              -0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :              -0.00003445674375
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :              -0.00002985427358
                   +0 :              -0.00001630310348
                   +1 :               0.00009595788287
                   +2 :              -0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :               0.00000636921465
                   +0 :              -0.00001200777944
                   +1 :              -0.00004556490882
                   +2 :               0.00007410053854
                6p
                   -1 :               0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :               0.00005111548730
                4f
                   -3 :              -0.00000229155732
                   -2 :              -0.00005021851772
                   -1 :              -0.00005513886070
                   +0 :               0.00004371744064
                   +1 :               0.00001453041931
                   +2 :               0.00006001987547
                   +3 :              -0.00001126034703
             27 vec=   -14.292755      7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :               0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :              -0.00003445674375
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :               0.00002985427358
                   +0 :              -0.00001630310348
                   +1 :               0.00009595788287
                   +2 :              -0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :              -0.00000636921465
                   +0 :              -0.00001200777944
                   +1 :              -0.00004556490882
                   +2 :               0.00007410053854
                6p
                   -1 :              -0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :               0.00005111548730
                4f
                   -3 :               0.00000229155732
                   -2 :               0.00005021851772
                   -1 :               0.00005513886070
                   +0 :               0.00004371744064
                   +1 :               0.00001453041931
                   +2 :               0.00006001987547
                   +3 :              -0.00001126034703
             28 vec=    -7.146377    -14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :              -0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :              -0.00004680934631
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :               0.00009595788287
                   +0 :              -0.00001630310348
                   +1 :              -0.00002985427358
                   +2 :               0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :              -0.00004556490882
                   +0 :              -0.00001200777944
                   +1 :               0.00000636921465
                   +2 :              -0.00007410053854
                6p
                   -1 :               0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :               0.00002635372131
                4f
                   -3 :               0.00001126034703
                   -2 :              -0.00005021851772
                   -1 :               0.00001453041931
                   +0 :               0.00004371744064
                   +1 :              -0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :               0.00000229155732
             29 vec=    -7.146377     14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :               0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :              -0.00004680934631
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :              -0.00009595788287
                   +0 :              -0.00001630310348
                   +1 :              -0.00002985427358
                   +2 :               0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :               0.00004556490882
                   +0 :              -0.00001200777944
                   +1 :               0.00000636921465
                   +2 :              -0.00007410053854
                6p
                   -1 :              -0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :               0.00002635372131
                4f
                   -3 :              -0.00001126034703
                   -2 :               0.00005021851772
                   -1 :              -0.00001453041931
                   +0 :               0.00004371744064
                   +1 :              -0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :               0.00000229155732
             30 vec=     7.146377    -14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :              -0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :               0.00004680934631
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :               0.00009595788287
                   +0 :              -0.00001630310348
                   +1 :               0.00002985427358
                   +2 :               0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :              -0.00004556490882
                   +0 :              -0.00001200777944
                   +1 :              -0.00000636921465
                   +2 :              -0.00007410053854
                6p
                   -1 :               0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :              -0.00002635372131
                4f
                   -3 :               0.00001126034703
                   -2 :               0.00005021851772
                   -1 :               0.00001453041931
                   +0 :               0.00004371744064
                   +1 :               0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :              -0.00000229155732
             31 vec=     7.146377     14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :               0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :               0.00004680934631
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :              -0.00009595788287
                   +0 :              -0.00001630310348
                   +1 :               0.00002985427358
                   +2 :               0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :               0.00004556490882
                   +0 :              -0.00001200777944
                   +1 :              -0.00000636921465
                   +2 :              -0.00007410053854
                6p
                   -1 :              -0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :              -0.00002635372131
                4f
                   -3 :              -0.00001126034703
                   -2 :              -0.00005021851772
                   -1 :              -0.00001453041931
                   +0 :               0.00004371744064
                   +1 :               0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :              -0.00000229155732
             32 vec=    14.292755     -7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :              -0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :               0.00003445674375
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :              -0.00002985427358
                   +0 :              -0.00001630310348
                   +1 :              -0.00009595788287
                   +2 :              -0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :               0.00000636921465
                   +0 :              -0.00001200777944
                   +1 :               0.00004556490882
                   +2 :               0.00007410053854
                6p
                   -1 :               0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :              -0.00005111548730
                4f
                   -3 :              -0.00000229155732
                   -2 :               0.00005021851772
                   -1 :              -0.00005513886070
                   +0 :               0.00004371744064
                   +1 :              -0.00001453041931
                   +2 :               0.00006001987547
                   +3 :               0.00001126034703
             33 vec=    14.292755      7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00001869924282
                5p
                   -1 :               0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :               0.00003445674375
                6s
                   +0 :              -0.00005637870095
                7s
                   +0 :              -0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :               0.00002985427358
                   +0 :              -0.00001630310348
                   +1 :              -0.00009595788287
                   +2 :              -0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :              -0.00000636921465
                   +0 :              -0.00001200777944
                   +1 :               0.00004556490882
                   +2 :               0.00007410053854
                6p
                   -1 :              -0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :              -0.00005111548730
                4f
                   -3 :               0.00000229155732
                   -2 :              -0.00005021851772
                   -1 :               0.00005513886070
                   +0 :               0.00004371744064
                   +1 :              -0.00001453041931
                   +2 :               0.00006001987547
                   +3 :               0.00001126034703
             34 vec=   -10.719566    -10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00003163496541
                5p
                   -1 :               0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :               0.00000802494112
                6s
                   +0 :               0.00014055022541
                7s
                   +0 :              -0.00001606955351
                5d
                   -2 :               0.00008014170710
                   -1 :               0.00005779666418
                   +0 :              -0.00000729865627
                   +1 :               0.00005779666418
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004395356684
                   -1 :              -0.00006570478213
                   +0 :              -0.00002349422732
                   +1 :              -0.00006570478213
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001347370690
                   +0 :               0.00000182288534
                   +1 :              -0.00001347370690
                4f
                   -3 :               0.00001244011057
                   -2 :               0.00012131044314
                   -1 :              -0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :              -0.00006480443766
                   +2 :              -0.00000000000000
                   +3 :              -0.00001244011057
             35 vec=   -10.719566     10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00003163496541
                5p
                   -1 :              -0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :               0.00000802494112
                6s
                   +0 :               0.00014055022541
                7s
                   +0 :              -0.00001606955351
                5d
                   -2 :              -0.00008014170710
                   -1 :              -0.00005779666418
                   +0 :              -0.00000729865627
                   +1 :               0.00005779666418
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004395356684
                   -1 :               0.00006570478213
                   +0 :              -0.00002349422732
                   +1 :              -0.00006570478213
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001347370690
                   +0 :               0.00000182288534
                   +1 :              -0.00001347370690
                4f
                   -3 :              -0.00001244011057
                   -2 :              -0.00012131044314
                   -1 :               0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :              -0.00006480443766
                   +2 :               0.00000000000000
                   +3 :              -0.00001244011057
             36 vec=    10.719566    -10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00003163496541
                5p
                   -1 :               0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :              -0.00000802494112
                6s
                   +0 :               0.00014055022541
                7s
                   +0 :              -0.00001606955351
                5d
                   -2 :              -0.00008014170710
                   -1 :               0.00005779666418
                   +0 :              -0.00000729865627
                   +1 :              -0.00005779666418
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00004395356684
                   -1 :              -0.00006570478213
                   +0 :              -0.00002349422732
                   +1 :               0.00006570478213
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001347370690
                   +0 :               0.00000182288534
                   +1 :               0.00001347370690
                4f
                   -3 :               0.00001244011057
                   -2 :              -0.00012131044314
                   -1 :              -0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :               0.00006480443766
                   +2 :              -0.00000000000000
                   +3 :               0.00001244011057
             37 vec=    10.719566     10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00003163496541
                5p
                   -1 :              -0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :              -0.00000802494112
                6s
                   +0 :               0.00014055022541
                7s
                   +0 :              -0.00001606955351
                5d
                   -2 :               0.00008014170710
                   -1 :              -0.00005779666418
                   +0 :              -0.00000729865627
                   +1 :              -0.00005779666418
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004395356684
                   -1 :               0.00006570478213
                   +0 :              -0.00002349422732
                   +1 :               0.00006570478213
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00001347370690
                   +0 :               0.00000182288534
                   +1 :               0.00001347370690
                4f
                   -3 :              -0.00001244011057
                   -2 :               0.00012131044314
                   -1 :               0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :               0.00006480443766
                   +2 :              -0.00000000000000
                   +3 :               0.00001244011057
             38 vec=    -3.573189     -3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00002693156999
                5p
                   -1 :              -0.00005606266160
                   +0 :               0.00002296332273
                   +1 :              -0.00005606266160
                6s
                   +0 :              -0.00006983989547
                7s
                   +0 :              -0.00004455441063
                5d
                   -2 :              -0.00019732882261
                   -1 :               0.00020512245834
                   +0 :              -0.00020025039367
                   +1 :               0.00020512245834
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00009948345479
                   -1 :              -0.00006326627191
                   +0 :               0.00006487485208
                   +1 :              -0.00006326627191
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :               0.00004033060936
                4f
                   -3 :              -0.00003685909404
                   -2 :              -0.00009433857622
                   -1 :              -0.00014213764410
                   +0 :               0.00001327733966
                   +1 :              -0.00014213764410
                   +2 :              -0.00000000000000
                   +3 :               0.00003685909404
             39 vec=    -3.573189      3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00002693156999
                5p
                   -1 :               0.00005606266160
                   +0 :               0.00002296332273
                   +1 :              -0.00005606266160
                6s
                   +0 :              -0.00006983989547
                7s
                   +0 :              -0.00004455441063
                5d
                   -2 :               0.00019732882261
                   -1 :              -0.00020512245834
                   +0 :              -0.00020025039367
                   +1 :               0.00020512245834
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00009948345479
                   -1 :               0.00006326627191
                   +0 :               0.00006487485208
                   +1 :              -0.00006326627191
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :               0.00004033060936
                4f
                   -3 :               0.00003685909404
                   -2 :               0.00009433857622
                   -1 :               0.00014213764410
                   +0 :               0.00001327733966
                   +1 :              -0.00014213764410
                   +2 :              -0.00000000000000
                   +3 :               0.00003685909404
             40 vec=     3.573189     -3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00002693156999
                5p
                   -1 :              -0.00005606266160
                   +0 :               0.00002296332273
                   +1 :               0.00005606266160
                6s
                   +0 :              -0.00006983989547
                7s
                   +0 :              -0.00004455441063
                5d
                   -2 :               0.00019732882261
                   -1 :               0.00020512245834
                   +0 :              -0.00020025039367
                   +1 :              -0.00020512245834
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00009948345479
                   -1 :              -0.00006326627191
                   +0 :               0.00006487485208
                   +1 :               0.00006326627191
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :              -0.00004033060936
                4f
                   -3 :              -0.00003685909404
                   -2 :               0.00009433857622
                   -1 :              -0.00014213764410
                   +0 :               0.00001327733966
                   +1 :               0.00014213764410
                   +2 :               0.00000000000000
                   +3 :              -0.00003685909404
             41 vec=     3.573189      3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00002693156999
                5p
                   -1 :               0.00005606266160
                   +0 :               0.00002296332273
                   +1 :               0.00005606266160
                6s
                   +0 :              -0.00006983989547
                7s
                   +0 :              -0.00004455441063
                5d
                   -2 :              -0.00019732882261
                   -1 :              -0.00020512245834
                   +0 :              -0.00020025039367
                   +1 :              -0.00020512245834
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00009948345479
                   -1 :               0.00006326627191
                   +0 :               0.00006487485208
                   +1 :               0.00006326627191
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :              -0.00004033060936
                4f
                   -3 :               0.00003685909404
                   -2 :              -0.00009433857622
                   -1 :               0.00014213764410
                   +0 :               0.00001327733966
                   +1 :               0.00014213764410
                   +2 :               0.00000000000000
                   +3 :              -0.00003685909404
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.01330846214005
                5p
                   -1 :              -0.02397483131749
                   +0 :               0.01335619604297
                   +1 :              -0.02397483131749
                6s
                   +0 :               0.00155026887800
                7s
                   +0 :               0.00155352740889
                5d
                   -2 :              -0.02640665620153
                   -1 :               0.01827711717857
                   +0 :               0.02510675252655
                   +1 :               0.01827711717857
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00024388508876
                   -1 :              -0.00267388440673
                   +0 :              -0.00283638385683
                   +1 :              -0.00267388440673
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00153066097166
                   +0 :               0.00325826033519
                   +1 :              -0.00153066097166
                4f
                   -3 :              -0.00933541497945
                   -2 :               0.00958272057710
                   -1 :               0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :               0.01505849542435
                   +2 :              -0.00000000000000
                   +3 :               0.00933541497945
              2 vec=    -3.573189      3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.01330846214005
                5p
                   -1 :               0.02397483131749
                   +0 :               0.01335619604297
                   +1 :              -0.02397483131749
                6s
                   +0 :               0.00155026887800
                7s
                   +0 :               0.00155352740889
                5d
                   -2 :               0.02640665620153
                   -1 :              -0.01827711717857
                   +0 :               0.02510675252655
                   +1 :               0.01827711717857
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00024388508876
                   -1 :               0.00267388440673
                   +0 :              -0.00283638385683
                   +1 :              -0.00267388440673
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00153066097166
                   +0 :               0.00325826033519
                   +1 :              -0.00153066097166
                4f
                   -3 :               0.00933541497945
                   -2 :              -0.00958272057710
                   -1 :              -0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :               0.01505849542435
                   +2 :               0.00000000000000
                   +3 :               0.00933541497945
              3 vec=     3.573189     -3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.01330846214005
                5p
                   -1 :              -0.02397483131749
                   +0 :               0.01335619604297
                   +1 :               0.02397483131749
                6s
                   +0 :               0.00155026887800
                7s
                   +0 :               0.00155352740889
                5d
                   -2 :               0.02640665620153
                   -1 :               0.01827711717857
                   +0 :               0.02510675252655
                   +1 :              -0.01827711717857
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00024388508876
                   -1 :              -0.00267388440673
                   +0 :              -0.00283638385683
                   +1 :               0.00267388440673
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00153066097166
                   +0 :               0.00325826033519
                   +1 :               0.00153066097166
                4f
                   -3 :              -0.00933541497945
                   -2 :              -0.00958272057710
                   -1 :               0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :              -0.01505849542435
                   +2 :               0.00000000000000
                   +3 :              -0.00933541497945
              4 vec=     3.573189      3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.01330846214005
                5p
                   -1 :               0.02397483131749
                   +0 :               0.01335619604297
                   +1 :               0.02397483131749
                6s
                   +0 :               0.00155026887800
                7s
                   +0 :               0.00155352740889
                5d
                   -2 :              -0.02640665620153
                   -1 :              -0.01827711717857
                   +0 :               0.02510675252655
                   +1 :              -0.01827711717857
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00024388508876
                   -1 :               0.00267388440673
                   +0 :              -0.00283638385683
                   +1 :               0.00267388440673
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00153066097166
                   +0 :               0.00325826033519
                   +1 :               0.00153066097166
                4f
                   -3 :               0.00933541497945
                   -2 :               0.00958272057710
                   -1 :              -0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :              -0.01505849542435
                   +2 :              -0.00000000000000
                   +3 :              -0.00933541497945
              5 vec=   -10.719566     -3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :               0.00023339379706
                   +0 :               0.00004306096318
                   +1 :              -0.00078155302831
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :               0.00052719608879
                   +0 :              -0.00017098532162
                   +1 :              -0.00035075907147
                   +2 :              -0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :              -0.00020007426855
                   +0 :               0.00010175458905
                   +1 :               0.00037737106450
                   +2 :               0.00008875764346
                6p
                   -1 :               0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :              -0.00022727014458
                4f
                   -3 :               0.00019554317887
                   -2 :               0.00004107465573
                   -1 :              -0.00018243075007
                   +0 :               0.00015437558502
                   +1 :              -0.00019114016650
                   +2 :               0.00012931278640
                   +3 :              -0.00004821948622
              6 vec=   -10.719566      3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :              -0.00023339379706
                   +0 :               0.00004306096318
                   +1 :              -0.00078155302831
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :              -0.00052719608879
                   +0 :              -0.00017098532162
                   +1 :              -0.00035075907147
                   +2 :              -0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :               0.00020007426855
                   +0 :               0.00010175458905
                   +1 :               0.00037737106450
                   +2 :               0.00008875764346
                6p
                   -1 :              -0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :              -0.00022727014458
                4f
                   -3 :              -0.00019554317887
                   -2 :              -0.00004107465573
                   -1 :               0.00018243075007
                   +0 :               0.00015437558502
                   +1 :              -0.00019114016650
                   +2 :               0.00012931278640
                   +3 :              -0.00004821948622
              7 vec=    -3.573189    -10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :              -0.00078155302831
                   +0 :               0.00004306096318
                   +1 :               0.00023339379706
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :              -0.00035075907147
                   +0 :              -0.00017098532162
                   +1 :               0.00052719608879
                   +2 :               0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :               0.00037737106450
                   +0 :               0.00010175458905
                   +1 :              -0.00020007426855
                   +2 :              -0.00008875764346
                6p
                   -1 :              -0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :               0.00020134206690
                4f
                   -3 :               0.00004821948622
                   -2 :               0.00004107465573
                   -1 :              -0.00019114016650
                   +0 :               0.00015437558502
                   +1 :              -0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :              -0.00019554317887
              8 vec=    -3.573189     10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :               0.00078155302831
                   +0 :               0.00004306096318
                   +1 :               0.00023339379706
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :               0.00035075907147
                   +0 :              -0.00017098532162
                   +1 :               0.00052719608879
                   +2 :               0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :              -0.00037737106450
                   +0 :               0.00010175458905
                   +1 :              -0.00020007426855
                   +2 :              -0.00008875764346
                6p
                   -1 :               0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :               0.00020134206690
                4f
                   -3 :              -0.00004821948622
                   -2 :              -0.00004107465573
                   -1 :               0.00019114016650
                   +0 :               0.00015437558502
                   +1 :              -0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :              -0.00019554317887
              9 vec=     3.573189    -10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :              -0.00078155302831
                   +0 :               0.00004306096318
                   +1 :              -0.00023339379706
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :              -0.00035075907147
                   +0 :              -0.00017098532162
                   +1 :              -0.00052719608879
                   +2 :               0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :               0.00037737106450
                   +0 :               0.00010175458905
                   +1 :               0.00020007426855
                   +2 :              -0.00008875764346
                6p
                   -1 :              -0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :              -0.00020134206690
                4f
                   -3 :               0.00004821948622
                   -2 :              -0.00004107465573
                   -1 :              -0.00019114016650
                   +0 :               0.00015437558502
                   +1 :               0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :               0.00019554317887
             10 vec=     3.573189     10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :               0.00078155302831
                   +0 :               0.00004306096318
                   +1 :              -0.00023339379706
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :               0.00035075907147
                   +0 :              -0.00017098532162
                   +1 :              -0.00052719608879
                   +2 :               0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :              -0.00037737106450
                   +0 :               0.00010175458905
                   +1 :               0.00020007426855
                   +2 :              -0.00008875764346
                6p
                   -1 :               0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :              -0.00020134206690
                4f
                   -3 :              -0.00004821948622
                   -2 :               0.00004107465573
                   -1 :               0.00019114016650
                   +0 :               0.00015437558502
                   +1 :               0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :               0.00019554317887
             11 vec=    10.719566     -3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :               0.00023339379706
                   +0 :               0.00004306096318
                   +1 :               0.00078155302831
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :               0.00052719608879
                   +0 :              -0.00017098532162
                   +1 :               0.00035075907147
                   +2 :              -0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :              -0.00020007426855
                   +0 :               0.00010175458905
                   +1 :              -0.00037737106450
                   +2 :               0.00008875764346
                6p
                   -1 :               0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :               0.00022727014458
                4f
                   -3 :               0.00019554317887
                   -2 :              -0.00004107465573
                   -1 :              -0.00018243075007
                   +0 :               0.00015437558502
                   +1 :               0.00019114016650
                   +2 :               0.00012931278640
                   +3 :               0.00004821948622
             12 vec=    10.719566      3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00005125316885
                5p
                   -1 :              -0.00023339379706
                   +0 :               0.00004306096318
                   +1 :               0.00078155302831
                6s
                   +0 :               0.00015081469153
                7s
                   +0 :               0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :              -0.00052719608879
                   +0 :              -0.00017098532162
                   +1 :               0.00035075907147
                   +2 :              -0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :               0.00020007426855
                   +0 :               0.00010175458905
                   +1 :              -0.00037737106450
                   +2 :               0.00008875764346
                6p
                   -1 :              -0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :               0.00022727014458
                4f
                   -3 :              -0.00019554317887
                   -2 :               0.00004107465573
                   -1 :               0.00018243075007
                   +0 :               0.00015437558502
                   +1 :               0.00019114016650
                   +2 :               0.00012931278640
                   +3 :               0.00004821948622
             13 vec=     0.000000      0.000000     11.456663   |vec|=   11.456663
                5s
                   +0 :               0.00242072671901
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00724120725044
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00492855202436
                7s
                   +0 :               0.00032034064990
                5d
                   -1 :               0.00000000000000
                   +0 :               0.00911295397126
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00373858089641
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00173685710603
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00273133171895
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             14 vec=    -7.146377      0.000000     11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00019748175162
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00009721670151
                   +1 :              -0.00071564028915
                6s
                   +0 :              -0.00243192556202
                7s
                   +0 :               0.00022008370674
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00192078027101
                   +1 :              -0.00486311233688
                   +2 :               0.00270140525892
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00027288741963
                   +1 :               0.00033731408642
                   +2 :              -0.00024687667126
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00050113678650
                   +1 :               0.00029040727684
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00008577066182
                   +1 :               0.00184565433639
                   +2 :              -0.00194354343666
                   +3 :               0.00092575881598
             15 vec=     0.000000     -7.146377     11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00019748175162
                5p
                   -1 :              -0.00071564028915
                   +0 :              -0.00009721670151
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00243192556202
                7s
                   +0 :               0.00022008370674
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00486311233688
                   +0 :               0.00192078027101
                   +1 :               0.00000000000000
                   +2 :              -0.00270140525892
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00033731408642
                   +0 :              -0.00027288741963
                   +1 :              -0.00000000000000
                   +2 :               0.00024687667126
                6p
                   -1 :               0.00029040727684
                   +0 :              -0.00050113678650
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00092575881598
                   -2 :               0.00000000000000
                   -1 :               0.00184565433639
                   +0 :               0.00008577066182
                   +1 :              -0.00000000000000
                   +2 :               0.00194354343666
                   +3 :              -0.00000000000000
             16 vec=     0.000000      7.146377     11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00019748175162
                5p
                   -1 :               0.00071564028915
                   +0 :              -0.00009721670151
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00243192556202
                7s
                   +0 :               0.00022008370674
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00486311233688
                   +0 :               0.00192078027101
                   +1 :              -0.00000000000000
                   +2 :              -0.00270140525892
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00033731408642
                   +0 :              -0.00027288741963
                   +1 :               0.00000000000000
                   +2 :               0.00024687667126
                6p
                   -1 :              -0.00029040727684
                   +0 :              -0.00050113678650
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00092575881598
                   -2 :               0.00000000000000
                   -1 :              -0.00184565433639
                   +0 :               0.00008577066182
                   +1 :               0.00000000000000
                   +2 :               0.00194354343666
                   +3 :               0.00000000000000
             17 vec=     7.146377      0.000000     11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00019748175162
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00009721670151
                   +1 :               0.00071564028915
                6s
                   +0 :              -0.00243192556202
                7s
                   +0 :               0.00022008370674
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00192078027101
                   +1 :               0.00486311233688
                   +2 :               0.00270140525892
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00027288741963
                   +1 :              -0.00033731408642
                   +2 :              -0.00024687667126
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00050113678650
                   +1 :              -0.00029040727684
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00008577066182
                   +1 :              -0.00184565433639
                   +2 :              -0.00194354343666
                   +3 :              -0.00092575881598
             18 vec=     0.000000      0.000000    -13.579751   |vec|=   13.579751
                5s
                   +0 :               0.00043299544694
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00041320595589
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00232722035946
                7s
                   +0 :               0.00021199155115
                5d
                   -1 :              -0.00000000000000
                   +0 :               0.00756710141029
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00080428169154
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00080187246988
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00396702765286
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             19 vec=   -10.719566    -10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00067317149586
                5p
                   -1 :              -0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :              -0.00066986806186
                6s
                   +0 :               0.00003890097925
                7s
                   +0 :               0.00013086905045
                5d
                   -2 :              -0.00073850895221
                   -1 :              -0.00064787269748
                   +0 :               0.00049503743805
                   +1 :              -0.00064787269748
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00032781255299
                   -1 :               0.00004337292160
                   +0 :               0.00011798906081
                   +1 :               0.00004337292160
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :               0.00004264806169
                4f
                   -3 :              -0.00013177744539
                   -2 :              -0.00049633420420
                   -1 :               0.00008164091676
                   +0 :               0.00042349297018
                   +1 :               0.00008164091676
                   +2 :               0.00000000000000
                   +3 :               0.00013177744539
             20 vec=   -10.719566     10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00067317149586
                5p
                   -1 :               0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :              -0.00066986806186
                6s
                   +0 :               0.00003890097925
                7s
                   +0 :               0.00013086905045
                5d
                   -2 :               0.00073850895221
                   -1 :               0.00064787269748
                   +0 :               0.00049503743805
                   +1 :              -0.00064787269748
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00032781255299
                   -1 :              -0.00004337292160
                   +0 :               0.00011798906081
                   +1 :               0.00004337292160
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :               0.00004264806169
                4f
                   -3 :               0.00013177744539
                   -2 :               0.00049633420420
                   -1 :              -0.00008164091676
                   +0 :               0.00042349297018
                   +1 :               0.00008164091676
                   +2 :              -0.00000000000000
                   +3 :               0.00013177744539
             21 vec=    10.719566    -10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00067317149586
                5p
                   -1 :              -0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :               0.00066986806186
                6s
                   +0 :               0.00003890097925
                7s
                   +0 :               0.00013086905045
                5d
                   -2 :               0.00073850895221
                   -1 :              -0.00064787269748
                   +0 :               0.00049503743805
                   +1 :               0.00064787269748
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00032781255299
                   -1 :               0.00004337292160
                   +0 :               0.00011798906081
                   +1 :              -0.00004337292160
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :              -0.00004264806169
                4f
                   -3 :              -0.00013177744539
                   -2 :               0.00049633420420
                   -1 :               0.00008164091676
                   +0 :               0.00042349297018
                   +1 :              -0.00008164091676
                   +2 :              -0.00000000000000
                   +3 :              -0.00013177744539
             22 vec=    10.719566     10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00067317149586
                5p
                   -1 :               0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :               0.00066986806186
                6s
                   +0 :               0.00003890097925
                7s
                   +0 :               0.00013086905045
                5d
                   -2 :              -0.00073850895221
                   -1 :               0.00064787269748
                   +0 :               0.00049503743805
                   +1 :               0.00064787269748
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00032781255299
                   -1 :              -0.00004337292160
                   +0 :               0.00011798906081
                   +1 :              -0.00004337292160
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :              -0.00004264806169
                4f
                   -3 :               0.00013177744539
                   -2 :              -0.00049633420420
                   -1 :              -0.00008164091676
                   +0 :               0.00042349297018
                   +1 :              -0.00008164091676
                   +2 :               0.00000000000000
                   +3 :              -0.00013177744539
             23 vec=    -7.146377     -7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00002114938492
                5p
                   -1 :              -0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :              -0.00002815046109
                6s
                   +0 :              -0.00053449747804
                7s
                   +0 :               0.00011356741981
                5d
                   -2 :              -0.00039795320615
                   -1 :              -0.00019202718390
                   +0 :               0.00032767586261
                   +1 :              -0.00019202718390
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005284257488
                   -1 :              -0.00003025944101
                   +0 :              -0.00014907704644
                   +1 :              -0.00003025944101
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000230518645
                   +0 :               0.00000361237404
                   +1 :              -0.00000230518645
                4f
                   -3 :              -0.00001151907353
                   -2 :               0.00024239867292
                   -1 :               0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :               0.00018790476154
                   +2 :               0.00000000000000
                   +3 :               0.00001151907353
             24 vec=    -7.146377      7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00002114938492
                5p
                   -1 :               0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :              -0.00002815046109
                6s
                   +0 :              -0.00053449747804
                7s
                   +0 :               0.00011356741981
                5d
                   -2 :               0.00039795320615
                   -1 :               0.00019202718390
                   +0 :               0.00032767586261
                   +1 :              -0.00019202718390
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00005284257488
                   -1 :               0.00003025944101
                   +0 :              -0.00014907704644
                   +1 :              -0.00003025944101
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000230518645
                   +0 :               0.00000361237404
                   +1 :              -0.00000230518645
                4f
                   -3 :               0.00001151907353
                   -2 :              -0.00024239867292
                   -1 :              -0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :               0.00018790476154
                   +2 :              -0.00000000000000
                   +3 :               0.00001151907353
             25 vec=     7.146377     -7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00002114938492
                5p
                   -1 :              -0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :               0.00002815046109
                6s
                   +0 :              -0.00053449747804
                7s
                   +0 :               0.00011356741981
                5d
                   -2 :               0.00039795320615
                   -1 :              -0.00019202718390
                   +0 :               0.00032767586261
                   +1 :               0.00019202718390
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00005284257488
                   -1 :              -0.00003025944101
                   +0 :              -0.00014907704644
                   +1 :               0.00003025944101
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000230518645
                   +0 :               0.00000361237404
                   +1 :               0.00000230518645
                4f
                   -3 :              -0.00001151907353
                   -2 :              -0.00024239867292
                   -1 :               0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :              -0.00018790476154
                   +2 :               0.00000000000000
                   +3 :              -0.00001151907353
             26 vec=     7.146377      7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00002114938492
                5p
                   -1 :               0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :               0.00002815046109
                6s
                   +0 :              -0.00053449747804
                7s
                   +0 :               0.00011356741981
                5d
                   -2 :              -0.00039795320615
                   -1 :               0.00019202718390
                   +0 :               0.00032767586261
                   +1 :               0.00019202718390
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005284257488
                   -1 :               0.00003025944101
                   +0 :              -0.00014907704644
                   +1 :               0.00003025944101
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000230518645
                   +0 :               0.00000361237404
                   +1 :               0.00000230518645
                4f
                   -3 :               0.00001151907353
                   -2 :               0.00024239867292
                   -1 :              -0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :              -0.00018790476154
                   +2 :               0.00000000000000
                   +3 :              -0.00001151907353
             27 vec=    -7.146377      0.000000    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00033693799319
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00081002577953
                   +1 :               0.00009541559413
                6s
                   +0 :               0.00060444999781
                7s
                   +0 :              -0.00001526454206
                5d
                   -1 :               0.00000000000000
                   +0 :              -0.00159387653362
                   +1 :               0.00086249617625
                   +2 :              -0.00023394404226
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00005345246435
                   +1 :              -0.00017017630845
                   +2 :               0.00003126929836
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00015017103746
                   +1 :              -0.00002240792982
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00116130731665
                   +1 :               0.00062767467632
                   +2 :               0.00003350110034
                   +3 :              -0.00013049663995
             28 vec=     0.000000     -7.146377    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00033693799319
                5p
                   -1 :               0.00009541559413
                   +0 :              -0.00081002577953
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00060444999781
                7s
                   +0 :              -0.00001526454206
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00086249617625
                   +0 :              -0.00159387653362
                   +1 :              -0.00000000000000
                   +2 :               0.00023394404226
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00017017630845
                   +0 :               0.00005345246435
                   +1 :              -0.00000000000000
                   +2 :              -0.00003126929836
                6p
                   -1 :              -0.00002240792982
                   +0 :              -0.00015017103746
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00013049663995
                   -2 :              -0.00000000000000
                   -1 :               0.00062767467632
                   +0 :              -0.00116130731665
                   +1 :               0.00000000000000
                   +2 :              -0.00003350110034
                   +3 :               0.00000000000000
             29 vec=     0.000000      7.146377    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00033693799319
                5p
                   -1 :              -0.00009541559413
                   +0 :              -0.00081002577953
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00060444999781
                7s
                   +0 :              -0.00001526454206
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00086249617625
                   +0 :              -0.00159387653362
                   +1 :               0.00000000000000
                   +2 :               0.00023394404226
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00017017630845
                   +0 :               0.00005345246435
                   +1 :              -0.00000000000000
                   +2 :              -0.00003126929836
                6p
                   -1 :               0.00002240792982
                   +0 :              -0.00015017103746
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00013049663995
                   -2 :              -0.00000000000000
                   -1 :              -0.00062767467632
                   +0 :              -0.00116130731665
                   +1 :               0.00000000000000
                   +2 :              -0.00003350110034
                   +3 :              -0.00000000000000
             30 vec=     7.146377      0.000000    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00033693799319
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00081002577953
                   +1 :              -0.00009541559413
                6s
                   +0 :               0.00060444999781
                7s
                   +0 :              -0.00001526454206
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00159387653362
                   +1 :              -0.00086249617625
                   +2 :              -0.00023394404226
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005345246435
                   +1 :               0.00017017630845
                   +2 :               0.00003126929836
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00015017103746
                   +1 :               0.00002240792982
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00116130731665
                   +1 :              -0.00062767467632
                   +2 :               0.00003350110034
                   +3 :               0.00013049663995
             31 vec=    -7.146377     -7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00009846327544
                5p
                   -1 :              -0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :              -0.00005298953607
                6s
                   +0 :               0.00003319484425
                7s
                   +0 :              -0.00002041366561
                5d
                   -2 :               0.00005595198651
                   -1 :              -0.00015858796356
                   +0 :              -0.00004470321549
                   +1 :              -0.00015858796356
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000133823365
                   -1 :               0.00002905787173
                   +0 :              -0.00000746107266
                   +1 :               0.00002905787173
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00001690479952
                   +0 :               0.00001988220176
                   +1 :               0.00001690479952
                4f
                   -3 :               0.00001036852412
                   -2 :              -0.00008136708608
                   -1 :              -0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :              -0.00004061041182
                   +2 :               0.00000000000000
                   +3 :              -0.00001036852412
             32 vec=    -7.146377      7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00009846327544
                5p
                   -1 :               0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :              -0.00005298953607
                6s
                   +0 :               0.00003319484425
                7s
                   +0 :              -0.00002041366561
                5d
                   -2 :              -0.00005595198651
                   -1 :               0.00015858796356
                   +0 :              -0.00004470321549
                   +1 :              -0.00015858796356
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000133823365
                   -1 :              -0.00002905787173
                   +0 :              -0.00000746107266
                   +1 :               0.00002905787173
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001690479952
                   +0 :               0.00001988220176
                   +1 :               0.00001690479952
                4f
                   -3 :              -0.00001036852412
                   -2 :               0.00008136708608
                   -1 :               0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :              -0.00004061041182
                   +2 :               0.00000000000000
                   +3 :              -0.00001036852412
             33 vec=     7.146377     -7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00009846327544
                5p
                   -1 :              -0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :               0.00005298953607
                6s
                   +0 :               0.00003319484425
                7s
                   +0 :              -0.00002041366561
                5d
                   -2 :              -0.00005595198651
                   -1 :              -0.00015858796356
                   +0 :              -0.00004470321549
                   +1 :               0.00015858796356
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000133823365
                   -1 :               0.00002905787173
                   +0 :              -0.00000746107266
                   +1 :              -0.00002905787173
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001690479952
                   +0 :               0.00001988220176
                   +1 :              -0.00001690479952
                4f
                   -3 :               0.00001036852412
                   -2 :               0.00008136708608
                   -1 :              -0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :               0.00004061041182
                   +2 :              -0.00000000000000
                   +3 :               0.00001036852412
             34 vec=     7.146377      7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00009846327544
                5p
                   -1 :               0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :               0.00005298953607
                6s
                   +0 :               0.00003319484425
                7s
                   +0 :              -0.00002041366561
                5d
                   -2 :               0.00005595198651
                   -1 :               0.00015858796356
                   +0 :              -0.00004470321549
                   +1 :               0.00015858796356
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000133823365
                   -1 :              -0.00002905787173
                   +0 :              -0.00000746107266
                   +1 :              -0.00002905787173
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001690479952
                   +0 :               0.00001988220176
                   +1 :              -0.00001690479952
                4f
                   -3 :              -0.00001036852412
                   -2 :              -0.00008136708608
                   -1 :               0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :               0.00004061041182
                   +2 :              -0.00000000000000
                   +3 :               0.00001036852412
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site Cu(  3)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                3s
                   +0 :               0.00485790736569
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.02287469356658
                   +1 :               0.00000000000000
                4s
                   +0 :               0.08112538910836
                5s
                   +0 :               0.00108684525379
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.04688367049728
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00880792968777
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.07276251094942
                   +1 :               0.00000000000000
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00073342459855
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00049501389297
                   +1 :              -0.00131687607495
                4s
                   +0 :               0.00943336124993
                5s
                   +0 :              -0.00084240660117
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00029247378518
                   +1 :              -0.00404155641989
                   +2 :               0.00156522891295
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000915921403
                   +1 :              -0.00057373737784
                   +2 :               0.00050922461761
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00417945690811
                   +1 :              -0.00202603700427
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00073342459855
                3p
                   -1 :              -0.00131687607495
                   +0 :               0.00049501389297
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00943336124993
                5s
                   +0 :              -0.00084240660117
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00404155641989
                   +0 :               0.00029247378518
                   +1 :               0.00000000000000
                   +2 :              -0.00156522891295
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00057373737784
                   +0 :               0.00000915921403
                   +1 :               0.00000000000000
                   +2 :              -0.00050922461761
                4p
                   -1 :              -0.00202603700427
                   +0 :               0.00417945690811
                   +1 :               0.00000000000000
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00073342459855
                3p
                   -1 :               0.00131687607495
                   +0 :               0.00049501389297
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00943336124993
                5s
                   +0 :              -0.00084240660117
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00404155641989
                   +0 :               0.00029247378518
                   +1 :              -0.00000000000000
                   +2 :              -0.00156522891295
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00057373737784
                   +0 :               0.00000915921403
                   +1 :              -0.00000000000000
                   +2 :              -0.00050922461761
                4p
                   -1 :               0.00202603700427
                   +0 :               0.00417945690811
                   +1 :              -0.00000000000000
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00073342459855
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00049501389297
                   +1 :               0.00131687607495
                4s
                   +0 :               0.00943336124993
                5s
                   +0 :              -0.00084240660117
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00029247378518
                   +1 :               0.00404155641989
                   +2 :               0.00156522891295
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000915921403
                   +1 :               0.00057373737784
                   +2 :               0.00050922461761
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00417945690811
                   +1 :               0.00202603700427
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00022548421861
                3p
                   -1 :              -0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :              -0.00047657038081
                4s
                   +0 :              -0.00004250450371
                5s
                   +0 :               0.00004099886433
                3d
                   -2 :               0.00109811044293
                   -1 :              -0.00012545059653
                   +0 :              -0.00073949899245
                   +1 :              -0.00012545059653
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00004823381571
                   -1 :               0.00011126720677
                   +0 :               0.00002750604815
                   +1 :               0.00011126720677
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :              -0.00026082372251
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00022548421861
                3p
                   -1 :               0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :              -0.00047657038081
                4s
                   +0 :              -0.00004250450371
                5s
                   +0 :               0.00004099886433
                3d
                   -2 :              -0.00109811044293
                   -1 :               0.00012545059653
                   +0 :              -0.00073949899245
                   +1 :              -0.00012545059653
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00004823381571
                   -1 :              -0.00011126720677
                   +0 :               0.00002750604815
                   +1 :               0.00011126720677
                4p
                   -1 :               0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :              -0.00026082372251
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00022548421861
                3p
                   -1 :              -0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :               0.00047657038081
                4s
                   +0 :              -0.00004250450371
                5s
                   +0 :               0.00004099886433
                3d
                   -2 :              -0.00109811044293
                   -1 :              -0.00012545059653
                   +0 :              -0.00073949899245
                   +1 :               0.00012545059653
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00004823381571
                   -1 :               0.00011126720677
                   +0 :               0.00002750604815
                   +1 :              -0.00011126720677
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :               0.00026082372251
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00022548421861
                3p
                   -1 :               0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :               0.00047657038081
                4s
                   +0 :              -0.00004250450371
                5s
                   +0 :               0.00004099886433
                3d
                   -2 :               0.00109811044293
                   -1 :               0.00012545059653
                   +0 :              -0.00073949899245
                   +1 :               0.00012545059653
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00004823381571
                   -1 :              -0.00011126720677
                   +0 :               0.00002750604815
                   +1 :              -0.00011126720677
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :               0.00026082372251
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00000830183999
                3p
                   -1 :              -0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :              -0.00044658790610
                4s
                   +0 :               0.00409610777719
                5s
                   +0 :              -0.00103986656461
                3d
                   -2 :               0.00045927251751
                   -1 :               0.00043824877245
                   +0 :               0.00024018828699
                   +1 :               0.00043824877245
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00017444847340
                   -1 :               0.00016288818704
                   +0 :               0.00019874966882
                   +1 :               0.00016288818704
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :               0.00012289221940
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00000830183999
                3p
                   -1 :               0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :              -0.00044658790610
                4s
                   +0 :               0.00409610777719
                5s
                   +0 :              -0.00103986656461
                3d
                   -2 :              -0.00045927251751
                   -1 :              -0.00043824877245
                   +0 :               0.00024018828699
                   +1 :               0.00043824877245
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00017444847340
                   -1 :              -0.00016288818704
                   +0 :               0.00019874966882
                   +1 :               0.00016288818704
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :               0.00012289221940
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00000830183999
                3p
                   -1 :              -0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :               0.00044658790610
                4s
                   +0 :               0.00409610777719
                5s
                   +0 :              -0.00103986656461
                3d
                   -2 :              -0.00045927251751
                   -1 :               0.00043824877245
                   +0 :               0.00024018828699
                   +1 :              -0.00043824877245
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00017444847340
                   -1 :               0.00016288818704
                   +0 :               0.00019874966882
                   +1 :              -0.00016288818704
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :              -0.00012289221940
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00000830183999
                3p
                   -1 :               0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :               0.00044658790610
                4s
                   +0 :               0.00409610777719
                5s
                   +0 :              -0.00103986656461
                3d
                   -2 :               0.00045927251751
                   -1 :              -0.00043824877245
                   +0 :               0.00024018828699
                   +1 :              -0.00043824877245
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00017444847340
                   -1 :              -0.00016288818704
                   +0 :               0.00019874966882
                   +1 :              -0.00016288818704
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :              -0.00012289221940
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :              -0.00003839159641
                   +0 :               0.00002875055753
                   +1 :              -0.00002941793931
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :               0.00009274615276
                   +0 :              -0.00001670416185
                   +1 :              -0.00006699037185
                   +2 :              -0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :               0.00000379006740
                   +0 :               0.00003990815402
                   +1 :              -0.00005169395177
                   +2 :              -0.00004003271096
                4p
                   -1 :              -0.00012646891795
                   +0 :               0.00009683538782
                   +1 :               0.00052611423992
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :               0.00003839159641
                   +0 :               0.00002875055753
                   +1 :              -0.00002941793931
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :              -0.00009274615276
                   +0 :              -0.00001670416185
                   +1 :              -0.00006699037185
                   +2 :              -0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :              -0.00000379006740
                   +0 :               0.00003990815402
                   +1 :              -0.00005169395177
                   +2 :              -0.00004003271096
                4p
                   -1 :               0.00012646891795
                   +0 :               0.00009683538782
                   +1 :               0.00052611423992
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :              -0.00002941793931
                   +0 :               0.00002875055753
                   +1 :              -0.00003839159641
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :              -0.00006699037185
                   +0 :              -0.00001670416185
                   +1 :               0.00009274615276
                   +2 :               0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :              -0.00005169395177
                   +0 :               0.00003990815402
                   +1 :               0.00000379006740
                   +2 :               0.00004003271096
                4p
                   -1 :               0.00052611423992
                   +0 :               0.00009683538782
                   +1 :              -0.00012646891795
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :               0.00002941793931
                   +0 :               0.00002875055753
                   +1 :              -0.00003839159641
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :               0.00006699037185
                   +0 :              -0.00001670416185
                   +1 :               0.00009274615276
                   +2 :               0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :               0.00005169395177
                   +0 :               0.00003990815402
                   +1 :               0.00000379006740
                   +2 :               0.00004003271096
                4p
                   -1 :              -0.00052611423992
                   +0 :               0.00009683538782
                   +1 :              -0.00012646891795
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :              -0.00002941793931
                   +0 :               0.00002875055753
                   +1 :               0.00003839159641
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :              -0.00006699037185
                   +0 :              -0.00001670416185
                   +1 :              -0.00009274615276
                   +2 :               0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :              -0.00005169395177
                   +0 :               0.00003990815402
                   +1 :              -0.00000379006740
                   +2 :               0.00004003271096
                4p
                   -1 :               0.00052611423992
                   +0 :               0.00009683538782
                   +1 :               0.00012646891795
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :               0.00002941793931
                   +0 :               0.00002875055753
                   +1 :               0.00003839159641
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :               0.00006699037185
                   +0 :              -0.00001670416185
                   +1 :              -0.00009274615276
                   +2 :               0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :               0.00005169395177
                   +0 :               0.00003990815402
                   +1 :              -0.00000379006740
                   +2 :               0.00004003271096
                4p
                   -1 :              -0.00052611423992
                   +0 :               0.00009683538782
                   +1 :               0.00012646891795
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :              -0.00003839159641
                   +0 :               0.00002875055753
                   +1 :               0.00002941793931
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :               0.00009274615276
                   +0 :              -0.00001670416185
                   +1 :               0.00006699037185
                   +2 :              -0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :               0.00000379006740
                   +0 :               0.00003990815402
                   +1 :               0.00005169395177
                   +2 :              -0.00004003271096
                4p
                   -1 :              -0.00012646891795
                   +0 :               0.00009683538782
                   +1 :              -0.00052611423992
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00001826267147
                3p
                   -1 :               0.00003839159641
                   +0 :               0.00002875055753
                   +1 :               0.00002941793931
                4s
                   +0 :              -0.00061665232357
                5s
                   +0 :              -0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :              -0.00009274615276
                   +0 :              -0.00001670416185
                   +1 :               0.00006699037185
                   +2 :              -0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :              -0.00000379006740
                   +0 :               0.00003990815402
                   +1 :               0.00005169395177
                   +2 :              -0.00004003271096
                4p
                   -1 :               0.00012646891795
                   +0 :               0.00009683538782
                   +1 :              -0.00052611423992
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00013786280606
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000614483710
                   +1 :              -0.00004081603122
                4s
                   +0 :              -0.00061882883358
                5s
                   +0 :               0.00012974646942
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004490168713
                   +1 :               0.00034918687895
                   +2 :               0.00009252264461
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001984936897
                   +1 :              -0.00000869796493
                   +2 :              -0.00000441496569
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00013932223290
                   +1 :               0.00011181989520
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00013786280606
                3p
                   -1 :              -0.00004081603122
                   +0 :              -0.00000614483710
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00061882883358
                5s
                   +0 :               0.00012974646942
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00034918687895
                   +0 :              -0.00004490168713
                   +1 :              -0.00000000000000
                   +2 :              -0.00009252264461
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000869796493
                   +0 :              -0.00001984936897
                   +1 :              -0.00000000000000
                   +2 :               0.00000441496569
                4p
                   -1 :               0.00011181989520
                   +0 :              -0.00013932223290
                   +1 :              -0.00000000000000
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00013786280606
                3p
                   -1 :               0.00004081603122
                   +0 :              -0.00000614483710
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00061882883358
                5s
                   +0 :               0.00012974646942
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00034918687895
                   +0 :              -0.00004490168713
                   +1 :               0.00000000000000
                   +2 :              -0.00009252264461
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000869796493
                   +0 :              -0.00001984936897
                   +1 :               0.00000000000000
                   +2 :               0.00000441496569
                4p
                   -1 :              -0.00011181989520
                   +0 :              -0.00013932223290
                   +1 :               0.00000000000000
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00013786280606
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000614483710
                   +1 :               0.00004081603122
                4s
                   +0 :              -0.00061882883358
                5s
                   +0 :               0.00012974646942
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004490168713
                   +1 :              -0.00034918687895
                   +2 :               0.00009252264461
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001984936897
                   +1 :               0.00000869796493
                   +2 :              -0.00000441496569
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00013932223290
                   +1 :              -0.00011181989520
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :               0.00000923381081
                   +0 :               0.00000047770990
                   +1 :              -0.00005655184935
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :              -0.00005093947381
                   +0 :              -0.00002962906089
                   +1 :              -0.00009648430499
                   +2 :               0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :               0.00001364496087
                   +0 :              -0.00001433191113
                   +1 :              -0.00002555049757
                   +2 :              -0.00001003584341
                4p
                   -1 :               0.00003383663124
                   +0 :               0.00006407679893
                   +1 :               0.00000601721886
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :              -0.00000923381081
                   +0 :               0.00000047770990
                   +1 :              -0.00005655184935
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :               0.00005093947381
                   +0 :              -0.00002962906089
                   +1 :              -0.00009648430499
                   +2 :               0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :              -0.00001364496087
                   +0 :              -0.00001433191113
                   +1 :              -0.00002555049757
                   +2 :              -0.00001003584341
                4p
                   -1 :              -0.00003383663124
                   +0 :               0.00006407679893
                   +1 :               0.00000601721886
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :              -0.00005655184935
                   +0 :               0.00000047770990
                   +1 :               0.00000923381081
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :              -0.00009648430499
                   +0 :              -0.00002962906089
                   +1 :              -0.00005093947381
                   +2 :              -0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :              -0.00002555049757
                   +0 :              -0.00001433191113
                   +1 :               0.00001364496087
                   +2 :               0.00001003584341
                4p
                   -1 :               0.00000601721886
                   +0 :               0.00006407679893
                   +1 :               0.00003383663124
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :               0.00005655184935
                   +0 :               0.00000047770990
                   +1 :               0.00000923381081
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :               0.00009648430499
                   +0 :              -0.00002962906089
                   +1 :              -0.00005093947381
                   +2 :              -0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :               0.00002555049757
                   +0 :              -0.00001433191113
                   +1 :               0.00001364496087
                   +2 :               0.00001003584341
                4p
                   -1 :              -0.00000601721886
                   +0 :               0.00006407679893
                   +1 :               0.00003383663124
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :              -0.00005655184935
                   +0 :               0.00000047770990
                   +1 :              -0.00000923381081
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :              -0.00009648430499
                   +0 :              -0.00002962906089
                   +1 :               0.00005093947381
                   +2 :              -0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :              -0.00002555049757
                   +0 :              -0.00001433191113
                   +1 :              -0.00001364496087
                   +2 :               0.00001003584341
                4p
                   -1 :               0.00000601721886
                   +0 :               0.00006407679893
                   +1 :              -0.00003383663124
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :               0.00005655184935
                   +0 :               0.00000047770990
                   +1 :              -0.00000923381081
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :               0.00009648430499
                   +0 :              -0.00002962906089
                   +1 :               0.00005093947381
                   +2 :              -0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :               0.00002555049757
                   +0 :              -0.00001433191113
                   +1 :              -0.00001364496087
                   +2 :               0.00001003584341
                4p
                   -1 :              -0.00000601721886
                   +0 :               0.00006407679893
                   +1 :              -0.00003383663124
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :               0.00000923381081
                   +0 :               0.00000047770990
                   +1 :               0.00005655184935
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :              -0.00005093947381
                   +0 :              -0.00002962906089
                   +1 :               0.00009648430499
                   +2 :               0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :               0.00001364496087
                   +0 :              -0.00001433191113
                   +1 :               0.00002555049757
                   +2 :              -0.00001003584341
                4p
                   -1 :               0.00003383663124
                   +0 :               0.00006407679893
                   +1 :              -0.00000601721886
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00006048996734
                3p
                   -1 :              -0.00000923381081
                   +0 :               0.00000047770990
                   +1 :               0.00005655184935
                4s
                   +0 :               0.00010582800295
                5s
                   +0 :              -0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :               0.00005093947381
                   +0 :              -0.00002962906089
                   +1 :               0.00009648430499
                   +2 :               0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :              -0.00001364496087
                   +0 :              -0.00001433191113
                   +1 :               0.00002555049757
                   +2 :              -0.00001003584341
                4p
                   -1 :              -0.00003383663124
                   +0 :               0.00006407679893
                   +1 :              -0.00000601721886
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00001014713262
                3p
                   -1 :               0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :               0.00001581085814
                4s
                   +0 :              -0.00034991407866
                5s
                   +0 :              -0.00005097501670
                3d
                   -2 :              -0.00003185257824
                   -1 :               0.00007515980063
                   +0 :              -0.00000876552360
                   +1 :               0.00007515980063
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00002784808464
                   -1 :               0.00001584645189
                   +0 :              -0.00001070004177
                   +1 :               0.00001584645189
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :               0.00007623466135
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00001014713262
                3p
                   -1 :              -0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :               0.00001581085814
                4s
                   +0 :              -0.00034991407866
                5s
                   +0 :              -0.00005097501670
                3d
                   -2 :               0.00003185257824
                   -1 :              -0.00007515980063
                   +0 :              -0.00000876552360
                   +1 :               0.00007515980063
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00002784808464
                   -1 :              -0.00001584645189
                   +0 :              -0.00001070004177
                   +1 :               0.00001584645189
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :               0.00007623466135
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00001014713262
                3p
                   -1 :               0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :              -0.00001581085814
                4s
                   +0 :              -0.00034991407866
                5s
                   +0 :              -0.00005097501670
                3d
                   -2 :               0.00003185257824
                   -1 :               0.00007515980063
                   +0 :              -0.00000876552360
                   +1 :              -0.00007515980063
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00002784808464
                   -1 :               0.00001584645189
                   +0 :              -0.00001070004177
                   +1 :              -0.00001584645189
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :              -0.00007623466135
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00001014713262
                3p
                   -1 :              -0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :              -0.00001581085814
                4s
                   +0 :              -0.00034991407866
                5s
                   +0 :              -0.00005097501670
                3d
                   -2 :              -0.00003185257824
                   -1 :              -0.00007515980063
                   +0 :              -0.00000876552360
                   +1 :              -0.00007515980063
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00002784808464
                   -1 :              -0.00001584645189
                   +0 :              -0.00001070004177
                   +1 :              -0.00001584645189
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :              -0.00007623466135
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00001630811892
                3p
                   -1 :              -0.00002915084697
                   +0 :               0.00000764743071
                   +1 :              -0.00002915084697
                4s
                   +0 :              -0.00005207846865
                5s
                   +0 :               0.00008293236845
                3d
                   -2 :               0.00015689715368
                   -1 :              -0.00000970877634
                   +0 :              -0.00004361100434
                   +1 :              -0.00000970877634
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00003314802610
                   -1 :               0.00001474956185
                   +0 :               0.00002081916254
                   +1 :               0.00001474956185
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000006128396
                   +0 :               0.00001194549437
                   +1 :              -0.00000006128396
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00001630811892
                3p
                   -1 :               0.00002915084697
                   +0 :               0.00000764743071
                   +1 :              -0.00002915084697
                4s
                   +0 :              -0.00005207846865
                5s
                   +0 :               0.00008293236845
                3d
                   -2 :              -0.00015689715368
                   -1 :               0.00000970877634
                   +0 :              -0.00004361100434
                   +1 :              -0.00000970877634
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00003314802610
                   -1 :              -0.00001474956185
                   +0 :               0.00002081916254
                   +1 :               0.00001474956185
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000006128396
                   +0 :               0.00001194549437
                   +1 :              -0.00000006128396
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00001630811892
                3p
                   -1 :              -0.00002915084697
                   +0 :               0.00000764743071
                   +1 :               0.00002915084697
                4s
                   +0 :              -0.00005207846865
                5s
                   +0 :               0.00008293236845
                3d
                   -2 :              -0.00015689715368
                   -1 :              -0.00000970877634
                   +0 :              -0.00004361100434
                   +1 :               0.00000970877634
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00003314802610
                   -1 :               0.00001474956185
                   +0 :               0.00002081916254
                   +1 :              -0.00001474956185
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000006128396
                   +0 :               0.00001194549437
                   +1 :               0.00000006128396
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00001630811892
                3p
                   -1 :               0.00002915084697
                   +0 :               0.00000764743071
                   +1 :               0.00002915084697
                4s
                   +0 :              -0.00005207846865
                5s
                   +0 :               0.00008293236845
                3d
                   -2 :               0.00015689715368
                   -1 :               0.00000970877634
                   +0 :              -0.00004361100434
                   +1 :               0.00000970877634
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00003314802610
                   -1 :              -0.00001474956185
                   +0 :               0.00002081916254
                   +1 :              -0.00001474956185
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000006128396
                   +0 :               0.00001194549437
                   +1 :               0.00000006128396
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site O (  4)  npairs=  34
              1 vec=     0.000000     -3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00275755345302
                2s
                   +0 :              -0.04296578122406
                3s
                   +0 :               0.00820262683888
                2p
                   -1 :               0.03120738707562
                   +0 :               0.02934018635667
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00775659358021
                   +0 :              -0.00521267436107
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00167497329978
                   +0 :              -0.00040104585959
                   +1 :               0.00000000000000
                   +2 :               0.00134069066338
              2 vec=     0.000000      3.573189     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00275755345302
                2s
                   +0 :              -0.04296578122406
                3s
                   +0 :               0.00820262683888
                2p
                   -1 :              -0.03120738707562
                   +0 :               0.02934018635667
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00775659358021
                   +0 :              -0.00521267436107
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00167497329978
                   +0 :              -0.00040104585959
                   +1 :              -0.00000000000000
                   +2 :               0.00134069066338
              3 vec=    -3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00048837733227
                2s
                   +0 :               0.01830280451495
                3s
                   +0 :               0.00008797208239
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00143257657310
                   +1 :              -0.01411917084430
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00039557539183
                   +1 :               0.00033879974949
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00064524800638
                   +1 :              -0.00099470283626
                   +2 :               0.00114279937928
              4 vec=     3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00048837733227
                2s
                   +0 :               0.01830280451495
                3s
                   +0 :               0.00008797208239
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00143257657310
                   +1 :               0.01411917084430
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00039557539183
                   +1 :              -0.00033879974949
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00064524800638
                   +1 :               0.00099470283626
                   +2 :               0.00114279937928
              5 vec=    -7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :               0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :              -0.00361677407801
                3p
                   -1 :              -0.00083846192309
                   +0 :               0.00203365673031
                   +1 :               0.00224912385671
                3d
                   -2 :               0.00005426538599
                   -1 :               0.00018020020050
                   +0 :              -0.00005480608517
                   +1 :              -0.00034180220360
                   +2 :               0.00004206010516
              6 vec=    -7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :              -0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :              -0.00361677407801
                3p
                   -1 :               0.00083846192309
                   +0 :               0.00203365673031
                   +1 :               0.00224912385671
                3d
                   -2 :              -0.00005426538599
                   -1 :              -0.00018020020050
                   +0 :              -0.00005480608517
                   +1 :              -0.00034180220360
                   +2 :               0.00004206010516
              7 vec=     7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :               0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :               0.00361677407801
                3p
                   -1 :              -0.00083846192309
                   +0 :               0.00203365673031
                   +1 :              -0.00224912385671
                3d
                   -2 :              -0.00005426538599
                   -1 :               0.00018020020050
                   +0 :              -0.00005480608517
                   +1 :               0.00034180220360
                   +2 :               0.00004206010516
              8 vec=     7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :              -0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :               0.00361677407801
                3p
                   -1 :               0.00083846192309
                   +0 :               0.00203365673031
                   +1 :              -0.00224912385671
                3d
                   -2 :               0.00005426538599
                   -1 :              -0.00018020020050
                   +0 :              -0.00005480608517
                   +1 :               0.00034180220360
                   +2 :               0.00004206010516
              9 vec=    -3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :              -0.00150890478194
                   +0 :               0.00101335006024
                   +1 :              -0.00129452954952
                3p
                   -1 :              -0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :               0.00002827411502
                3d
                   -2 :               0.00011797595270
                   -1 :              -0.00005328982595
                   +0 :              -0.00006702227102
                   +1 :              -0.00000229218989
                   +2 :              -0.00002920046587
             10 vec=    -3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :               0.00150890478194
                   +0 :               0.00101335006024
                   +1 :              -0.00129452954952
                3p
                   -1 :               0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :               0.00002827411502
                3d
                   -2 :              -0.00011797595270
                   -1 :               0.00005328982595
                   +0 :              -0.00006702227102
                   +1 :              -0.00000229218989
                   +2 :              -0.00002920046587
             11 vec=     3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :              -0.00150890478194
                   +0 :               0.00101335006024
                   +1 :               0.00129452954952
                3p
                   -1 :              -0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :              -0.00002827411502
                3d
                   -2 :              -0.00011797595270
                   -1 :              -0.00005328982595
                   +0 :              -0.00006702227102
                   +1 :               0.00000229218989
                   +2 :              -0.00002920046587
             12 vec=     3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :               0.00150890478194
                   +0 :               0.00101335006024
                   +1 :               0.00129452954952
                3p
                   -1 :               0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :              -0.00002827411502
                3d
                   -2 :               0.00011797595270
                   -1 :               0.00005328982595
                   +0 :              -0.00006702227102
                   +1 :               0.00000229218989
                   +2 :              -0.00002920046587
             13 vec=     0.000000    -10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00013117289286
                2s
                   +0 :              -0.00080522976029
                3s
                   +0 :               0.00053343526613
                2p
                   -1 :               0.00106036030358
                   +0 :              -0.00104664717165
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00056892919901
                   +0 :               0.00025330541622
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00006370887149
                   +0 :               0.00001152363538
                   +2 :               0.00001611115836
             14 vec=     0.000000     10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00013117289286
                2s
                   +0 :              -0.00080522976029
                3s
                   +0 :               0.00053343526613
                2p
                   -1 :              -0.00106036030358
                   +0 :              -0.00104664717165
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00056892919901
                   +0 :               0.00025330541622
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00006370887149
                   +0 :               0.00001152363538
                   +2 :               0.00001611115836
             15 vec=   -10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00002294027026
                2s
                   +0 :               0.00036912029420
                3s
                   +0 :              -0.00041508434313
                2p
                   +0 :               0.00018024841840
                   +1 :              -0.00054008080390
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00057325677571
                   +1 :               0.00079502003468
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003594309618
                   +1 :               0.00010802041162
                   +2 :              -0.00009241037807
             16 vec=    10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00002294027026
                2s
                   +0 :               0.00036912029420
                3s
                   +0 :              -0.00041508434313
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00018024841840
                   +1 :               0.00054008080390
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00057325677571
                   +1 :              -0.00079502003468
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00003594309618
                   +1 :              -0.00010802041162
                   +2 :              -0.00009241037807
             17 vec=    -7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :               0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :               0.00024457939494
                3p
                   -1 :              -0.00048672338293
                   +0 :               0.00016832483637
                   +1 :              -0.00007360278256
                3d
                   -2 :              -0.00001988183286
                   -1 :              -0.00001896092858
                   +0 :               0.00000504426851
                   +1 :              -0.00003076166241
                   +2 :               0.00003059045574
             18 vec=    -7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :              -0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :               0.00024457939494
                3p
                   -1 :               0.00048672338293
                   +0 :               0.00016832483637
                   +1 :              -0.00007360278256
                3d
                   -2 :               0.00001988183286
                   -1 :               0.00001896092858
                   +0 :               0.00000504426851
                   +1 :              -0.00003076166241
                   +2 :               0.00003059045574
             19 vec=     7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :               0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :              -0.00024457939494
                3p
                   -1 :              -0.00048672338293
                   +0 :               0.00016832483637
                   +1 :               0.00007360278256
                3d
                   -2 :               0.00001988183286
                   -1 :              -0.00001896092858
                   +0 :               0.00000504426851
                   +1 :               0.00003076166241
                   +2 :               0.00003059045574
             20 vec=     7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :              -0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :              -0.00024457939494
                3p
                   -1 :               0.00048672338293
                   +0 :               0.00016832483637
                   +1 :               0.00007360278256
                3d
                   -2 :              -0.00001988183286
                   -1 :               0.00001896092858
                   +0 :               0.00000504426851
                   +1 :               0.00003076166241
                   +2 :               0.00003059045574
             21 vec=   -10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :              -0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :               0.00019836854362
                3p
                   -1 :              -0.00002965765764
                   +0 :               0.00011346300752
                   +1 :              -0.00013213074865
                3d
                   -2 :               0.00001435084872
                   -1 :               0.00000576483535
                   +0 :              -0.00000692354408
                   +1 :              -0.00002943955078
                   +2 :               0.00000009116324
             22 vec=   -10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :               0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :               0.00019836854362
                3p
                   -1 :               0.00002965765764
                   +0 :               0.00011346300752
                   +1 :              -0.00013213074865
                3d
                   -2 :              -0.00001435084872
                   -1 :              -0.00000576483535
                   +0 :              -0.00000692354408
                   +1 :              -0.00002943955078
                   +2 :               0.00000009116324
             23 vec=    10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :              -0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :              -0.00019836854362
                3p
                   -1 :              -0.00002965765764
                   +0 :               0.00011346300752
                   +1 :               0.00013213074865
                3d
                   -2 :              -0.00001435084872
                   -1 :               0.00000576483535
                   +0 :              -0.00000692354408
                   +1 :               0.00002943955078
                   +2 :               0.00000009116324
             24 vec=    10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :               0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :              -0.00019836854362
                3p
                   -1 :               0.00002965765764
                   +0 :               0.00011346300752
                   +1 :               0.00013213074865
                3d
                   -2 :               0.00001435084872
                   -1 :              -0.00000576483535
                   +0 :              -0.00000692354408
                   +1 :               0.00002943955078
                   +2 :               0.00000009116324
             25 vec=   -14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :              -0.00003345846977
                   +0 :               0.00012567211775
                   +1 :               0.00032330612955
                3p
                   -1 :               0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :              -0.00022615598703
                3d
                   -2 :               0.00000904402808
                   -1 :              -0.00000052922382
                   +0 :               0.00000598842117
                   +1 :               0.00001775063097
                   +2 :               0.00001463755885
             26 vec=   -14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :               0.00003345846977
                   +0 :               0.00012567211775
                   +1 :               0.00032330612955
                3p
                   -1 :              -0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :              -0.00022615598703
                3d
                   -2 :              -0.00000904402808
                   -1 :               0.00000052922382
                   +0 :               0.00000598842117
                   +1 :               0.00001775063097
                   +2 :               0.00001463755885
             27 vec=    14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :              -0.00003345846977
                   +0 :               0.00012567211775
                   +1 :              -0.00032330612955
                3p
                   -1 :               0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :               0.00022615598703
                3d
                   -2 :              -0.00000904402808
                   -1 :              -0.00000052922382
                   +0 :               0.00000598842117
                   +1 :              -0.00001775063097
                   +2 :               0.00001463755885
             28 vec=    14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :               0.00003345846977
                   +0 :               0.00012567211775
                   +1 :              -0.00032330612955
                3p
                   -1 :              -0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :               0.00022615598703
                3d
                   -2 :               0.00000904402808
                   -1 :               0.00000052922382
                   +0 :               0.00000598842117
                   +1 :              -0.00001775063097
                   +2 :               0.00001463755885
             29 vec=    -3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :               0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :               0.00004058422996
                3p
                   -1 :              -0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :              -0.00000371426896
                3d
                   -2 :              -0.00001103815690
                   -1 :               0.00000641816834
                   +0 :               0.00000617644173
                   +1 :               0.00000649296603
                   +2 :              -0.00000316351701
             30 vec=    -3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :              -0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :               0.00004058422996
                3p
                   -1 :               0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :              -0.00000371426896
                3d
                   -2 :               0.00001103815690
                   -1 :              -0.00000641816834
                   +0 :               0.00000617644173
                   +1 :               0.00000649296603
                   +2 :              -0.00000316351701
             31 vec=     3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :               0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :              -0.00004058422996
                3p
                   -1 :              -0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :               0.00000371426896
                3d
                   -2 :               0.00001103815690
                   -1 :               0.00000641816834
                   +0 :               0.00000617644173
                   +1 :              -0.00000649296603
                   +2 :              -0.00000316351701
             32 vec=     3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :              -0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :              -0.00004058422996
                3p
                   -1 :               0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :               0.00000371426896
                3d
                   -2 :              -0.00001103815690
                   -1 :              -0.00000641816834
                   +0 :               0.00000617644173
                   +1 :              -0.00000649296603
                   +2 :              -0.00000316351701
             33 vec=    -3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002266536441
                2s
                   +0 :               0.00026315556974
                3s
                   +0 :              -0.00009827865367
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00007730724733
                   +1 :              -0.00120224607526
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00005102619846
                   +1 :               0.00037816134824
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002860585973
                   +1 :              -0.00003477213274
                   +2 :               0.00002148028220
             34 vec=     3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002266536441
                2s
                   +0 :               0.00026315556974
                3s
                   +0 :              -0.00009827865367
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00007730724733
                   +1 :               0.00120224607526
                3p
                   +0 :               0.00005102619846
                   +1 :              -0.00037816134824
                3d
                   -2 :              -0.00000000000000
                   +0 :              -0.00002860585973
                   +1 :               0.00003477213274
                   +2 :               0.00002148028220
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site O (  5)  npairs=  34
              1 vec=    -3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00275755345302
                2s
                   +0 :              -0.04296578122406
                3s
                   +0 :               0.00820262683888
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02934018635667
                   +1 :               0.03120738707562
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00521267436107
                   +1 :              -0.00775659358021
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00040104585959
                   +1 :              -0.00167497329978
                   +2 :              -0.00134069066338
              2 vec=     3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00275755345302
                2s
                   +0 :              -0.04296578122406
                3s
                   +0 :               0.00820262683888
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.02934018635667
                   +1 :              -0.03120738707562
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00521267436107
                   +1 :               0.00775659358021
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00040104585959
                   +1 :               0.00167497329978
                   +2 :              -0.00134069066338
              3 vec=     0.000000     -3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00048837733227
                2s
                   +0 :               0.01830280451495
                3s
                   +0 :               0.00008797208239
                2p
                   -1 :              -0.01411917084430
                   +0 :               0.00143257657310
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00033879974949
                   +0 :               0.00039557539183
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00099470283626
                   +0 :              -0.00064524800638
                   +1 :               0.00000000000000
                   +2 :              -0.00114279937928
              4 vec=     0.000000      3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00048837733227
                2s
                   +0 :               0.01830280451495
                3s
                   +0 :               0.00008797208239
                2p
                   -1 :               0.01411917084430
                   +0 :               0.00143257657310
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00033879974949
                   +0 :               0.00039557539183
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00099470283626
                   +0 :              -0.00064524800638
                   +1 :              -0.00000000000000
                   +2 :              -0.00114279937928
              5 vec=    -3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :              -0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :               0.00215535572070
                3p
                   -1 :               0.00224912385671
                   +0 :               0.00203365673031
                   +1 :              -0.00083846192309
                3d
                   -2 :               0.00005426538599
                   -1 :              -0.00034180220360
                   +0 :              -0.00005480608517
                   +1 :               0.00018020020050
                   +2 :              -0.00004206010516
              6 vec=    -3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :               0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :               0.00215535572070
                3p
                   -1 :              -0.00224912385671
                   +0 :               0.00203365673031
                   +1 :              -0.00083846192309
                3d
                   -2 :              -0.00005426538599
                   -1 :               0.00034180220360
                   +0 :              -0.00005480608517
                   +1 :               0.00018020020050
                   +2 :              -0.00004206010516
              7 vec=     3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :              -0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :              -0.00215535572070
                3p
                   -1 :               0.00224912385671
                   +0 :               0.00203365673031
                   +1 :               0.00083846192309
                3d
                   -2 :              -0.00005426538599
                   -1 :              -0.00034180220360
                   +0 :              -0.00005480608517
                   +1 :              -0.00018020020050
                   +2 :              -0.00004206010516
              8 vec=     3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00026637874643
                2s
                   +0 :              -0.00145081693718
                3s
                   +0 :              -0.00046896260829
                2p
                   -1 :               0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :              -0.00215535572070
                3p
                   -1 :              -0.00224912385671
                   +0 :               0.00203365673031
                   +1 :               0.00083846192309
                3d
                   -2 :               0.00005426538599
                   -1 :               0.00034180220360
                   +0 :              -0.00005480608517
                   +1 :              -0.00018020020050
                   +2 :              -0.00004206010516
              9 vec=    -7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :              -0.00129452954952
                   +0 :               0.00101335006024
                   +1 :              -0.00150890478194
                3p
                   -1 :               0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :              -0.00031092104568
                3d
                   -2 :               0.00011797595270
                   -1 :              -0.00000229218989
                   +0 :              -0.00006702227102
                   +1 :              -0.00005328982595
                   +2 :               0.00002920046587
             10 vec=    -7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :               0.00129452954952
                   +0 :               0.00101335006024
                   +1 :              -0.00150890478194
                3p
                   -1 :              -0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :              -0.00031092104568
                3d
                   -2 :              -0.00011797595270
                   -1 :               0.00000229218989
                   +0 :              -0.00006702227102
                   +1 :              -0.00005328982595
                   +2 :               0.00002920046587
             11 vec=     7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :              -0.00129452954952
                   +0 :               0.00101335006024
                   +1 :               0.00150890478194
                3p
                   -1 :               0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :               0.00031092104568
                3d
                   -2 :              -0.00011797595270
                   -1 :              -0.00000229218989
                   +0 :              -0.00006702227102
                   +1 :               0.00005328982595
                   +2 :               0.00002920046587
             12 vec=     7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00009482119202
                2s
                   +0 :               0.00146988636123
                3s
                   +0 :              -0.00010168946824
                2p
                   -1 :               0.00129452954952
                   +0 :               0.00101335006024
                   +1 :               0.00150890478194
                3p
                   -1 :              -0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :               0.00031092104568
                3d
                   -2 :               0.00011797595270
                   -1 :               0.00000229218989
                   +0 :              -0.00006702227102
                   +1 :               0.00005328982595
                   +2 :               0.00002920046587
             13 vec=   -10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00013117289286
                2s
                   +0 :              -0.00080522976029
                3s
                   +0 :               0.00053343526613
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00104664717165
                   +1 :               0.00106036030358
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00025330541622
                   +1 :              -0.00056892919901
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001152363538
                   +1 :               0.00006370887149
                   +2 :              -0.00001611115836
             14 vec=    10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00013117289286
                2s
                   +0 :              -0.00080522976029
                3s
                   +0 :               0.00053343526613
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00104664717165
                   +1 :              -0.00106036030358
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00025330541622
                   +1 :               0.00056892919901
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001152363538
                   +1 :              -0.00006370887149
                   +2 :              -0.00001611115836
             15 vec=     0.000000    -10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00002294027026
                2s
                   +0 :               0.00036912029420
                3s
                   +0 :              -0.00041508434313
                2p
                   -1 :              -0.00054008080390
                   +0 :               0.00018024841840
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00079502003468
                   +0 :              -0.00057325677571
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00010802041162
                   +0 :              -0.00003594309618
                   +1 :              -0.00000000000000
                   +2 :               0.00009241037807
             16 vec=     0.000000     10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00002294027026
                2s
                   +0 :               0.00036912029420
                3s
                   +0 :              -0.00041508434313
                2p
                   -1 :               0.00054008080390
                   +0 :               0.00018024841840
                3p
                   -1 :              -0.00079502003468
                   +0 :              -0.00057325677571
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00010802041162
                   +0 :              -0.00003594309618
                   +1 :               0.00000000000000
                   +2 :               0.00009241037807
             17 vec=   -10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :               0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :               0.00107911006955
                3p
                   -1 :              -0.00007360278256
                   +0 :               0.00016832483637
                   +1 :              -0.00048672338293
                3d
                   -2 :              -0.00001988183286
                   -1 :              -0.00003076166241
                   +0 :               0.00000504426851
                   +1 :              -0.00001896092858
                   +2 :              -0.00003059045574
             18 vec=   -10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :              -0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :               0.00107911006955
                3p
                   -1 :               0.00007360278256
                   +0 :               0.00016832483637
                   +1 :              -0.00048672338293
                3d
                   -2 :               0.00001988183286
                   -1 :               0.00003076166241
                   +0 :               0.00000504426851
                   +1 :              -0.00001896092858
                   +2 :              -0.00003059045574
             19 vec=    10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :               0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :              -0.00107911006955
                3p
                   -1 :              -0.00007360278256
                   +0 :               0.00016832483637
                   +1 :               0.00048672338293
                3d
                   -2 :               0.00001988183286
                   -1 :              -0.00003076166241
                   +0 :               0.00000504426851
                   +1 :               0.00001896092858
                   +2 :              -0.00003059045574
             20 vec=    10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00013195315544
                2s
                   +0 :              -0.00112750308558
                3s
                   +0 :               0.00036963679511
                2p
                   -1 :              -0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :              -0.00107911006955
                3p
                   -1 :               0.00007360278256
                   +0 :               0.00016832483637
                   +1 :               0.00048672338293
                3d
                   -2 :              -0.00001988183286
                   -1 :               0.00003076166241
                   +0 :               0.00000504426851
                   +1 :               0.00001896092858
                   +2 :              -0.00003059045574
             21 vec=    -7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :               0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :              -0.00023835069871
                3p
                   -1 :              -0.00013213074865
                   +0 :               0.00011346300752
                   +1 :              -0.00002965765764
                3d
                   -2 :               0.00001435084872
                   -1 :              -0.00002943955078
                   +0 :              -0.00000692354408
                   +1 :               0.00000576483535
                   +2 :              -0.00000009116324
             22 vec=    -7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :              -0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :              -0.00023835069871
                3p
                   -1 :               0.00013213074865
                   +0 :               0.00011346300752
                   +1 :              -0.00002965765764
                3d
                   -2 :              -0.00001435084872
                   -1 :               0.00002943955078
                   +0 :              -0.00000692354408
                   +1 :               0.00000576483535
                   +2 :              -0.00000009116324
             23 vec=     7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :               0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :               0.00023835069871
                3p
                   -1 :              -0.00013213074865
                   +0 :               0.00011346300752
                   +1 :               0.00002965765764
                3d
                   -2 :              -0.00001435084872
                   -1 :              -0.00002943955078
                   +0 :              -0.00000692354408
                   +1 :              -0.00000576483535
                   +2 :              -0.00000009116324
             24 vec=     7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00002271858844
                2s
                   +0 :               0.00031527347716
                3s
                   +0 :               0.00001501530294
                2p
                   -1 :              -0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :               0.00023835069871
                3p
                   -1 :               0.00013213074865
                   +0 :               0.00011346300752
                   +1 :               0.00002965765764
                3d
                   -2 :               0.00001435084872
                   -1 :               0.00002943955078
                   +0 :              -0.00000692354408
                   +1 :              -0.00000576483535
                   +2 :              -0.00000009116324
             25 vec=    -3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :               0.00032330612955
                   +0 :               0.00012567211775
                   +1 :              -0.00003345846977
                3p
                   -1 :              -0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :               0.00002563488045
                3d
                   -2 :               0.00000904402808
                   -1 :               0.00001775063097
                   +0 :               0.00000598842117
                   +1 :              -0.00000052922382
                   +2 :              -0.00001463755885
             26 vec=    -3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :              -0.00032330612955
                   +0 :               0.00012567211775
                   +1 :              -0.00003345846977
                3p
                   -1 :               0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :               0.00002563488045
                3d
                   -2 :              -0.00000904402808
                   -1 :              -0.00001775063097
                   +0 :               0.00000598842117
                   +1 :              -0.00000052922382
                   +2 :              -0.00001463755885
             27 vec=     3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :               0.00032330612955
                   +0 :               0.00012567211775
                   +1 :               0.00003345846977
                3p
                   -1 :              -0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :              -0.00002563488045
                3d
                   -2 :              -0.00000904402808
                   -1 :               0.00001775063097
                   +0 :               0.00000598842117
                   +1 :               0.00000052922382
                   +2 :              -0.00001463755885
             28 vec=     3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000396015557
                2s
                   +0 :              -0.00009115121271
                3s
                   +0 :               0.00011451866943
                2p
                   -1 :              -0.00032330612955
                   +0 :               0.00012567211775
                   +1 :               0.00003345846977
                3p
                   -1 :               0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :              -0.00002563488045
                3d
                   -2 :               0.00000904402808
                   -1 :              -0.00001775063097
                   +0 :               0.00000598842117
                   +1 :               0.00000052922382
                   +2 :              -0.00001463755885
             29 vec=   -14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :               0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :               0.00001648288250
                3p
                   -1 :              -0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :              -0.00004918361333
                3d
                   -2 :              -0.00001103815690
                   -1 :               0.00000649296603
                   +0 :               0.00000617644173
                   +1 :               0.00000641816834
                   +2 :               0.00000316351701
             30 vec=   -14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :              -0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :               0.00001648288250
                3p
                   -1 :               0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :              -0.00004918361333
                3d
                   -2 :               0.00001103815690
                   -1 :              -0.00000649296603
                   +0 :               0.00000617644173
                   +1 :               0.00000641816834
                   +2 :               0.00000316351701
             31 vec=    14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :               0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :              -0.00001648288250
                3p
                   -1 :              -0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :               0.00004918361333
                3d
                   -2 :               0.00001103815690
                   -1 :               0.00000649296603
                   +0 :               0.00000617644173
                   +1 :              -0.00000641816834
                   +2 :               0.00000316351701
             32 vec=    14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001641997996
                2s
                   +0 :              -0.00007288434667
                3s
                   +0 :               0.00006134090681
                2p
                   -1 :              -0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :              -0.00001648288250
                3p
                   -1 :               0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :               0.00004918361333
                3d
                   -2 :              -0.00001103815690
                   -1 :              -0.00000649296603
                   +0 :               0.00000617644173
                   +1 :              -0.00000641816834
                   +2 :               0.00000316351701
             33 vec=     0.000000     -3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002266536441
                2s
                   +0 :               0.00026315556974
                3s
                   +0 :              -0.00009827865367
                2p
                   -1 :              -0.00120224607526
                   +0 :               0.00007730724733
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00037816134824
                   +0 :               0.00005102619846
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00003477213274
                   +0 :              -0.00002860585973
                   +1 :               0.00000000000000
                   +2 :              -0.00002148028220
             34 vec=     0.000000      3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002266536441
                2s
                   +0 :               0.00026315556974
                3s
                   +0 :              -0.00009827865367
                2p
                   -1 :               0.00120224607526
                   +0 :               0.00007730724733
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00037816134824
                   +0 :               0.00005102619846
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00003477213274
                   +0 :              -0.00002860585973
                   +2 :              -0.00002148028220
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site O (  6)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00057640838657
                2s
                   +0 :               0.00125030712857
                3s
                   +0 :               0.00142426948193
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.90298362394025
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.06611554790225
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00539529715023
                   +1 :               0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00020074159166
                2s
                   +0 :               0.00366402058379
                3s
                   +0 :              -0.00099338871255
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00179928672670
                   +1 :              -0.00380168600295
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00089134116895
                   +1 :               0.00033716566217
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00005758864796
                   +1 :              -0.00000256882319
                   +2 :               0.00032301609703
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00020074159166
                2s
                   +0 :               0.00366402058379
                3s
                   +0 :              -0.00099338871255
                2p
                   -1 :              -0.00380168600295
                   +0 :              -0.00179928672670
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00033716566217
                   +0 :               0.00089134116895
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000256882319
                   +0 :              -0.00005758864796
                   +1 :              -0.00000000000000
                   +2 :              -0.00032301609703
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00020074159166
                2s
                   +0 :               0.00366402058379
                3s
                   +0 :              -0.00099338871255
                2p
                   -1 :               0.00380168600295
                   +0 :              -0.00179928672670
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00033716566217
                   +0 :               0.00089134116895
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000256882319
                   +0 :              -0.00005758864796
                   +1 :              -0.00000000000000
                   +2 :              -0.00032301609703
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00020074159166
                2s
                   +0 :               0.00366402058379
                3s
                   +0 :              -0.00099338871255
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00179928672670
                   +1 :               0.00380168600295
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00089134116895
                   +1 :              -0.00033716566217
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00005758864796
                   +1 :               0.00000256882319
                   +2 :               0.00032301609703
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032307187512
                2s
                   +0 :              -0.00923391029654
                3s
                   +0 :               0.00182616630543
                2p
                   -1 :               0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :               0.00686426742935
                3p
                   -1 :              -0.00226618173295
                   +0 :               0.00035429220491
                   +1 :              -0.00226618173295
                3d
                   -2 :               0.00012224979636
                   -1 :              -0.00003361590914
                   +0 :              -0.00000626361888
                   +1 :              -0.00003361590914
                   +2 :              -0.00000000000000
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032307187512
                2s
                   +0 :              -0.00923391029654
                3s
                   +0 :               0.00182616630543
                2p
                   -1 :              -0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :               0.00686426742935
                3p
                   -1 :               0.00226618173295
                   +0 :               0.00035429220491
                   +1 :              -0.00226618173295
                3d
                   -2 :              -0.00012224979636
                   -1 :               0.00003361590914
                   +0 :              -0.00000626361888
                   +1 :              -0.00003361590914
                   +2 :               0.00000000000000
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032307187512
                2s
                   +0 :              -0.00923391029654
                3s
                   +0 :               0.00182616630543
                2p
                   -1 :               0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :              -0.00686426742935
                3p
                   -1 :              -0.00226618173295
                   +0 :               0.00035429220491
                   +1 :               0.00226618173295
                3d
                   -2 :              -0.00012224979636
                   -1 :              -0.00003361590914
                   +0 :              -0.00000626361888
                   +1 :               0.00003361590914
                   +2 :               0.00000000000000
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032307187512
                2s
                   +0 :              -0.00923391029654
                3s
                   +0 :               0.00182616630543
                2p
                   -1 :              -0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :              -0.00686426742935
                3p
                   -1 :               0.00226618173295
                   +0 :               0.00035429220491
                   +1 :               0.00226618173295
                3d
                   -2 :               0.00012224979636
                   -1 :               0.00003361590914
                   +0 :              -0.00000626361888
                   +1 :               0.00003361590914
                   +2 :              -0.00000000000000
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00002823133634
                2s
                   +0 :               0.00067450543683
                3s
                   +0 :              -0.00013713262273
                2p
                   -1 :               0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :               0.00006621991307
                3p
                   -1 :              -0.00007309352541
                   +0 :               0.00007058708920
                   +1 :              -0.00007309352541
                3d
                   -2 :              -0.00000922226643
                   -1 :               0.00004471953729
                   +0 :              -0.00000139664333
                   +1 :               0.00004471953729
                   +2 :               0.00000000000000
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004871714650
                2s
                   +0 :              -0.00092972098877
                3s
                   +0 :               0.00030302788912
                2p
                   -1 :               0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :               0.00032798193466
                3p
                   -1 :              -0.00027329003298
                   +0 :               0.00025852977685
                   +1 :              -0.00027329003298
                3d
                   -2 :               0.00008570814416
                   -1 :              -0.00004739041647
                   +0 :              -0.00000964435105
                   +1 :              -0.00004739041647
                   +2 :              -0.00000000000000
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00002823133634
                2s
                   +0 :               0.00067450543683
                3s
                   +0 :              -0.00013713262273
                2p
                   -1 :              -0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :               0.00006621991307
                3p
                   -1 :               0.00007309352541
                   +0 :               0.00007058708920
                   +1 :              -0.00007309352541
                3d
                   -2 :               0.00000922226643
                   -1 :              -0.00004471953729
                   +0 :              -0.00000139664333
                   +1 :               0.00004471953729
                   +2 :              -0.00000000000000
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004871714650
                2s
                   +0 :              -0.00092972098877
                3s
                   +0 :               0.00030302788912
                2p
                   -1 :              -0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :               0.00032798193466
                3p
                   -1 :               0.00027329003298
                   +0 :               0.00025852977685
                   +1 :              -0.00027329003298
                3d
                   -2 :              -0.00008570814416
                   -1 :               0.00004739041647
                   +0 :              -0.00000964435105
                   +1 :              -0.00004739041647
                   +2 :               0.00000000000000
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00002823133634
                2s
                   +0 :               0.00067450543683
                3s
                   +0 :              -0.00013713262273
                2p
                   -1 :               0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :              -0.00006621991307
                3p
                   -1 :              -0.00007309352541
                   +0 :               0.00007058708920
                   +1 :               0.00007309352541
                3d
                   -2 :               0.00000922226643
                   -1 :               0.00004471953729
                   +0 :              -0.00000139664333
                   +1 :              -0.00004471953729
                   +2 :               0.00000000000000
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004871714650
                2s
                   +0 :              -0.00092972098877
                3s
                   +0 :               0.00030302788912
                2p
                   -1 :               0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :              -0.00032798193466
                3p
                   -1 :              -0.00027329003298
                   +0 :               0.00025852977685
                   +1 :               0.00027329003298
                3d
                   -2 :              -0.00008570814416
                   -1 :              -0.00004739041647
                   +0 :              -0.00000964435105
                   +1 :               0.00004739041647
                   +2 :               0.00000000000000
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00002823133634
                2s
                   +0 :               0.00067450543683
                3s
                   +0 :              -0.00013713262273
                2p
                   -1 :              -0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :              -0.00006621991307
                3p
                   -1 :               0.00007309352541
                   +0 :               0.00007058708920
                   +1 :               0.00007309352541
                3d
                   -2 :              -0.00000922226643
                   -1 :              -0.00004471953729
                   +0 :              -0.00000139664333
                   +1 :              -0.00004471953729
                   +2 :               0.00000000000000
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00004871714650
                2s
                   +0 :              -0.00092972098877
                3s
                   +0 :               0.00030302788912
                2p
                   -1 :              -0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :              -0.00032798193466
                3p
                   -1 :               0.00027329003298
                   +0 :               0.00025852977685
                   +1 :               0.00027329003298
                3d
                   -2 :               0.00008570814416
                   -1 :               0.00004739041647
                   +0 :              -0.00000964435105
                   +1 :               0.00004739041647
                   +2 :              -0.00000000000000
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00000564674538
                2s
                   +0 :              -0.00022455404493
                3s
                   +0 :               0.00004205125034
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00030720153024
                   +1 :               0.00026582520278
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00008592553651
                   +1 :              -0.00003622082046
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001104298000
                   +1 :              -0.00000684722194
                   +2 :              -0.00001573767916
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00000564674538
                2s
                   +0 :              -0.00022455404493
                3s
                   +0 :               0.00004205125034
                2p
                   -1 :               0.00026582520278
                   +0 :              -0.00030720153024
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00003622082046
                   +0 :               0.00008592553651
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000684722194
                   +0 :              -0.00001104298000
                   +1 :               0.00000000000000
                   +2 :               0.00001573767916
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00000564674538
                2s
                   +0 :              -0.00022455404493
                3s
                   +0 :               0.00004205125034
                2p
                   -1 :              -0.00026582520278
                   +0 :              -0.00030720153024
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00003622082046
                   +0 :               0.00008592553651
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000684722194
                   +0 :              -0.00001104298000
                   +1 :               0.00000000000000
                   +2 :               0.00001573767916
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00000564674538
                2s
                   +0 :              -0.00022455404493
                3s
                   +0 :               0.00004205125034
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00030720153024
                   +1 :              -0.00026582520278
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008592553651
                   +1 :               0.00003622082046
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001104298000
                   +1 :               0.00000684722194
                   +2 :              -0.00001573767916
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :              -0.00017143365979
                   +0 :               0.00010551161817
                   +1 :              -0.00008045917997
                3p
                   -1 :               0.00014842892650
                   +0 :               0.00000142575617
                   +1 :               0.00017196545619
                3d
                   -2 :              -0.00002646282027
                   -1 :               0.00000430271309
                   +0 :               0.00001419842618
                   +1 :               0.00000159491770
                   +2 :              -0.00002534981260
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :               0.00017143365979
                   +0 :               0.00010551161817
                   +1 :              -0.00008045917997
                3p
                   -1 :              -0.00014842892650
                   +0 :               0.00000142575617
                   +1 :               0.00017196545619
                3d
                   -2 :               0.00002646282027
                   -1 :              -0.00000430271309
                   +0 :               0.00001419842618
                   +1 :               0.00000159491770
                   +2 :              -0.00002534981260
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :              -0.00008045917997
                   +0 :               0.00010551161817
                   +1 :              -0.00017143365979
                3p
                   -1 :               0.00017196545619
                   +0 :               0.00000142575617
                   +1 :               0.00014842892650
                3d
                   -2 :              -0.00002646282027
                   -1 :               0.00000159491770
                   +0 :               0.00001419842618
                   +1 :               0.00000430271309
                   +2 :               0.00002534981260
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :               0.00008045917997
                   +0 :               0.00010551161817
                   +1 :              -0.00017143365979
                3p
                   -1 :              -0.00017196545619
                   +0 :               0.00000142575617
                   +1 :               0.00014842892650
                3d
                   -2 :               0.00002646282027
                   -1 :              -0.00000159491770
                   +0 :               0.00001419842618
                   +1 :               0.00000430271309
                   +2 :               0.00002534981260
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :              -0.00008045917997
                   +0 :               0.00010551161817
                   +1 :               0.00017143365979
                3p
                   -1 :               0.00017196545619
                   +0 :               0.00000142575617
                   +1 :              -0.00014842892650
                3d
                   -2 :               0.00002646282027
                   -1 :               0.00000159491770
                   +0 :               0.00001419842618
                   +1 :              -0.00000430271309
                   +2 :               0.00002534981260
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :               0.00008045917997
                   +0 :               0.00010551161817
                   +1 :               0.00017143365979
                3p
                   -1 :              -0.00017196545619
                   +0 :               0.00000142575617
                   +1 :              -0.00014842892650
                3d
                   -2 :              -0.00002646282027
                   -1 :              -0.00000159491770
                   +0 :               0.00001419842618
                   +1 :              -0.00000430271309
                   +2 :               0.00002534981260
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :              -0.00017143365979
                   +0 :               0.00010551161817
                   +1 :               0.00008045917997
                3p
                   -1 :               0.00014842892650
                   +0 :               0.00000142575617
                   +1 :              -0.00017196545619
                3d
                   -2 :               0.00002646282027
                   -1 :               0.00000430271309
                   +0 :               0.00001419842618
                   +1 :              -0.00000159491770
                   +2 :              -0.00002534981260
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000677294588
                2s
                   +0 :               0.00007107608473
                3s
                   +0 :              -0.00009682085612
                2p
                   -1 :               0.00017143365979
                   +0 :               0.00010551161817
                   +1 :               0.00008045917997
                3p
                   -1 :              -0.00014842892650
                   +0 :               0.00000142575617
                   +1 :              -0.00017196545619
                3d
                   -2 :              -0.00002646282027
                   -1 :              -0.00000430271309
                   +0 :               0.00001419842618
                   +1 :              -0.00000159491770
                   +2 :              -0.00002534981260
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :               0.00026731649652
                   +0 :               0.00042817215594
                   +1 :               0.00000666747767
                3p
                   -1 :              -0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :               0.00012428907581
                3d
                   -2 :              -0.00000195625017
                   -1 :              -0.00001582689179
                   +0 :               0.00003573422918
                   +1 :              -0.00003148403684
                   +2 :               0.00000349924394
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :              -0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :              -0.00027834479721
                3p
                   -1 :               0.00012463825787
                   +0 :               0.00013019031993
                   +1 :               0.00012913498744
                3d
                   -2 :              -0.00000813986582
                   -1 :               0.00000540462429
                   +0 :               0.00000194190432
                   +1 :               0.00000770227784
                   +2 :              -0.00002213005622
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :              -0.00026731649652
                   +0 :               0.00042817215594
                   +1 :               0.00000666747767
                3p
                   -1 :               0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :               0.00012428907581
                3d
                   -2 :               0.00000195625017
                   -1 :               0.00001582689179
                   +0 :               0.00003573422918
                   +1 :              -0.00003148403684
                   +2 :               0.00000349924394
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :               0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :              -0.00027834479721
                3p
                   -1 :              -0.00012463825787
                   +0 :               0.00013019031993
                   +1 :               0.00012913498744
                3d
                   -2 :               0.00000813986582
                   -1 :              -0.00000540462429
                   +0 :               0.00000194190432
                   +1 :               0.00000770227784
                   +2 :              -0.00002213005622
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :               0.00000666747767
                   +0 :               0.00042817215594
                   +1 :               0.00026731649652
                3p
                   -1 :               0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :              -0.00001832185012
                3d
                   -2 :              -0.00000195625017
                   -1 :              -0.00003148403684
                   +0 :               0.00003573422918
                   +1 :              -0.00001582689179
                   +2 :              -0.00000349924394
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :              -0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :              -0.00055445750594
                3p
                   -1 :               0.00012913498744
                   +0 :               0.00013019031993
                   +1 :               0.00012463825787
                3d
                   -2 :              -0.00000813986582
                   -1 :               0.00000770227784
                   +0 :               0.00000194190432
                   +1 :               0.00000540462429
                   +2 :               0.00002213005622
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :              -0.00000666747767
                   +0 :               0.00042817215594
                   +1 :               0.00026731649652
                3p
                   -1 :              -0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :              -0.00001832185012
                3d
                   -2 :               0.00000195625017
                   -1 :               0.00003148403684
                   +0 :               0.00003573422918
                   +1 :              -0.00001582689179
                   +2 :              -0.00000349924394
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :               0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :              -0.00055445750594
                3p
                   -1 :              -0.00012913498744
                   +0 :               0.00013019031993
                   +1 :               0.00012463825787
                3d
                   -2 :               0.00000813986582
                   -1 :              -0.00000770227784
                   +0 :               0.00000194190432
                   +1 :               0.00000540462429
                   +2 :               0.00002213005622
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :               0.00000666747767
                   +0 :               0.00042817215594
                   +1 :              -0.00026731649652
                3p
                   -1 :               0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :               0.00001832185012
                3d
                   -2 :               0.00000195625017
                   -1 :              -0.00003148403684
                   +0 :               0.00003573422918
                   +1 :               0.00001582689179
                   +2 :              -0.00000349924394
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :              -0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :               0.00055445750594
                3p
                   -1 :               0.00012913498744
                   +0 :               0.00013019031993
                   +1 :              -0.00012463825787
                3d
                   -2 :               0.00000813986582
                   -1 :               0.00000770227784
                   +0 :               0.00000194190432
                   +1 :              -0.00000540462429
                   +2 :               0.00002213005622
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :              -0.00000666747767
                   +0 :               0.00042817215594
                   +1 :              -0.00026731649652
                3p
                   -1 :              -0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :               0.00001832185012
                3d
                   -2 :              -0.00000195625017
                   -1 :               0.00003148403684
                   +0 :               0.00003573422918
                   +1 :               0.00001582689179
                   +2 :              -0.00000349924394
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :               0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :               0.00055445750594
                3p
                   -1 :              -0.00012913498744
                   +0 :               0.00013019031993
                   +1 :              -0.00012463825787
                3d
                   -2 :              -0.00000813986582
                   -1 :              -0.00000770227784
                   +0 :               0.00000194190432
                   +1 :              -0.00000540462429
                   +2 :               0.00002213005622
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :               0.00026731649652
                   +0 :               0.00042817215594
                   +1 :              -0.00000666747767
                3p
                   -1 :              -0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :              -0.00012428907581
                3d
                   -2 :               0.00000195625017
                   -1 :              -0.00001582689179
                   +0 :               0.00003573422918
                   +1 :               0.00003148403684
                   +2 :               0.00000349924394
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :              -0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :               0.00027834479721
                3p
                   -1 :               0.00012463825787
                   +0 :               0.00013019031993
                   +1 :              -0.00012913498744
                3d
                   -2 :               0.00000813986582
                   -1 :               0.00000540462429
                   +0 :               0.00000194190432
                   +1 :              -0.00000770227784
                   +2 :              -0.00002213005622
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003476863336
                2s
                   +0 :              -0.00038724296076
                3s
                   +0 :               0.00018343011392
                2p
                   -1 :              -0.00026731649652
                   +0 :               0.00042817215594
                   +1 :              -0.00000666747767
                3p
                   -1 :               0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :              -0.00012428907581
                3d
                   -2 :              -0.00000195625017
                   -1 :               0.00001582689179
                   +0 :               0.00003573422918
                   +1 :               0.00003148403684
                   +2 :               0.00000349924394
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00002877335402
                2s
                   +0 :               0.00053456741541
                3s
                   +0 :              -0.00010937995624
                2p
                   -1 :               0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :               0.00027834479721
                3p
                   -1 :              -0.00012463825787
                   +0 :               0.00013019031993
                   +1 :              -0.00012913498744
                3d
                   -2 :              -0.00000813986582
                   -1 :              -0.00000540462429
                   +0 :               0.00000194190432
                   +1 :              -0.00000770227784
                   +2 :              -0.00002213005622
WF             site_B          number of pairs
WF( 13)=[O 2p0]  to site O (  7)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00038103921221
                2s
                   +0 :               0.00376002706607
                3s
                   +0 :              -0.00220525384353
                2p
                   -1 :              -0.00047256946445
                   +0 :               0.01689099604771
                   +1 :              -0.00047256946445
                3p
                   -1 :              -0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :              -0.00060071122534
                3d
                   -2 :               0.00000467455624
                   -1 :              -0.00069478252226
                   +0 :              -0.00043766005505
                   +1 :              -0.00069478252226
                   +2 :              -0.00000000000000
              2 vec=    -3.573189      3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00038103921221
                2s
                   +0 :               0.00376002706607
                3s
                   +0 :              -0.00220525384353
                2p
                   -1 :               0.00047256946445
                   +0 :               0.01689099604771
                   +1 :              -0.00047256946445
                3p
                   -1 :               0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :              -0.00060071122534
                3d
                   -2 :              -0.00000467455624
                   -1 :               0.00069478252226
                   +0 :              -0.00043766005505
                   +1 :              -0.00069478252226
                   +2 :               0.00000000000000
              3 vec=     3.573189     -3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00038103921221
                2s
                   +0 :               0.00376002706607
                3s
                   +0 :              -0.00220525384353
                2p
                   -1 :              -0.00047256946445
                   +0 :               0.01689099604771
                   +1 :               0.00047256946445
                3p
                   -1 :              -0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :               0.00060071122534
                3d
                   -2 :              -0.00000467455624
                   -1 :              -0.00069478252226
                   +0 :              -0.00043766005505
                   +1 :               0.00069478252226
                   +2 :               0.00000000000000
              4 vec=     3.573189      3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00038103921221
                2s
                   +0 :               0.00376002706607
                3s
                   +0 :              -0.00220525384353
                2p
                   -1 :               0.00047256946445
                   +0 :               0.01689099604771
                   +1 :               0.00047256946445
                3p
                   -1 :               0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :               0.00060071122534
                3d
                   -2 :               0.00000467455624
                   -1 :               0.00069478252226
                   +0 :              -0.00043766005505
                   +1 :               0.00069478252226
                   +2 :              -0.00000000000000
              5 vec=     0.000000      0.000000     -9.133284   |vec|=    9.133284
                1s
                   +0 :              -0.00088026921240
                2s
                   +0 :               0.01037319149169
                3s
                   +0 :              -0.00077980670539
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00512365571621
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00163313158137
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00099453730952
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -7.146377      0.000000     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00027090103163
                2s
                   +0 :              -0.00492412806634
                3s
                   +0 :               0.00096531492358
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00509573366982
                   +1 :               0.00314492926630
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00070595779378
                   +1 :              -0.00061018767813
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00015544292694
                   +1 :              -0.00017132963566
                   +2 :              -0.00009083393639
              7 vec=     0.000000     -7.146377     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00027090103163
                2s
                   +0 :              -0.00492412806634
                3s
                   +0 :               0.00096531492358
                2p
                   -1 :               0.00314492926630
                   +0 :               0.00509573366982
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00061018767813
                   +0 :              -0.00070595779378
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00017132963566
                   +0 :              -0.00015544292694
                   +1 :               0.00000000000000
                   +2 :               0.00009083393639
              8 vec=     0.000000      7.146377     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00027090103163
                2s
                   +0 :              -0.00492412806634
                3s
                   +0 :               0.00096531492358
                2p
                   -1 :              -0.00314492926630
                   +0 :               0.00509573366982
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00061018767813
                   +0 :              -0.00070595779378
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00017132963566
                   +0 :              -0.00015544292694
                   +1 :              -0.00000000000000
                   +2 :               0.00009083393639
              9 vec=     7.146377      0.000000     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00027090103163
                2s
                   +0 :              -0.00492412806634
                3s
                   +0 :               0.00096531492358
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00509573366982
                   +1 :              -0.00314492926630
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00070595779378
                   +1 :               0.00061018767813
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00015544292694
                   +1 :               0.00017132963566
                   +2 :              -0.00009083393639
             10 vec=   -10.719566     -3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :               0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :               0.00039658132540
                3p
                   -1 :              -0.00007376338189
                   +0 :               0.00006050602805
                   +1 :              -0.00016632852407
                3d
                   -2 :               0.00002297922812
                   -1 :              -0.00001544467383
                   +0 :               0.00000477539228
                   +1 :              -0.00004052314170
                   +2 :               0.00000925774128
             11 vec=   -10.719566      3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :              -0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :               0.00039658132540
                3p
                   -1 :               0.00007376338189
                   +0 :               0.00006050602805
                   +1 :              -0.00016632852407
                3d
                   -2 :              -0.00002297922812
                   -1 :               0.00001544467383
                   +0 :               0.00000477539228
                   +1 :              -0.00004052314170
                   +2 :               0.00000925774128
             12 vec=    -3.573189    -10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :               0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :               0.00000373712463
                3p
                   -1 :              -0.00016632852407
                   +0 :               0.00006050602805
                   +1 :              -0.00007376338189
                3d
                   -2 :               0.00002297922812
                   -1 :              -0.00004052314170
                   +0 :               0.00000477539228
                   +1 :              -0.00001544467383
                   +2 :              -0.00000925774128
             13 vec=    -3.573189     10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :              -0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :               0.00000373712463
                3p
                   -1 :               0.00016632852407
                   +0 :               0.00006050602805
                   +1 :              -0.00007376338189
                3d
                   -2 :              -0.00002297922812
                   -1 :               0.00004052314170
                   +0 :               0.00000477539228
                   +1 :              -0.00001544467383
                   +2 :              -0.00000925774128
             14 vec=     3.573189    -10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :               0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :              -0.00000373712463
                3p
                   -1 :              -0.00016632852407
                   +0 :               0.00006050602805
                   +1 :               0.00007376338189
                3d
                   -2 :              -0.00002297922812
                   -1 :              -0.00004052314170
                   +0 :               0.00000477539228
                   +1 :               0.00001544467383
                   +2 :              -0.00000925774128
             15 vec=     3.573189     10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :              -0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :              -0.00000373712463
                3p
                   -1 :               0.00016632852407
                   +0 :               0.00006050602805
                   +1 :               0.00007376338189
                3d
                   -2 :               0.00002297922812
                   -1 :               0.00004052314170
                   +0 :               0.00000477539228
                   +1 :               0.00001544467383
                   +2 :              -0.00000925774128
             16 vec=    10.719566     -3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :               0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :              -0.00039658132540
                3p
                   -1 :              -0.00007376338189
                   +0 :               0.00006050602805
                   +1 :               0.00016632852407
                3d
                   -2 :              -0.00002297922812
                   -1 :              -0.00001544467383
                   +0 :               0.00000477539228
                   +1 :               0.00004052314170
                   +2 :               0.00000925774128
             17 vec=    10.719566      3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001443252874
                2s
                   +0 :              -0.00023824733508
                3s
                   +0 :               0.00018362101426
                2p
                   -1 :              -0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :              -0.00039658132540
                3p
                   -1 :               0.00007376338189
                   +0 :               0.00006050602805
                   +1 :               0.00016632852407
                3d
                   -2 :               0.00002297922812
                   -1 :               0.00001544467383
                   +0 :               0.00000477539228
                   +1 :               0.00004052314170
                   +2 :               0.00000925774128
             18 vec=    -7.146377     -7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002394755314
                2s
                   +0 :              -0.00002270686481
                3s
                   +0 :               0.00004503378281
                2p
                   -1 :              -0.00020922694754
                   +0 :               0.00009177353109
                   +1 :              -0.00020922694754
                3p
                   -1 :               0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :               0.00018790954573
                3d
                   -2 :              -0.00002590811612
                   -1 :               0.00000159865903
                   +0 :               0.00003472276080
                   +1 :               0.00000159865903
                   +2 :               0.00000000000000
             19 vec=    -7.146377      7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002394755314
                2s
                   +0 :              -0.00002270686481
                3s
                   +0 :               0.00004503378281
                2p
                   -1 :               0.00020922694754
                   +0 :               0.00009177353109
                   +1 :              -0.00020922694754
                3p
                   -1 :              -0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :               0.00018790954573
                3d
                   -2 :               0.00002590811612
                   -1 :              -0.00000159865903
                   +0 :               0.00003472276080
                   +1 :               0.00000159865903
                   +2 :              -0.00000000000000
             20 vec=     7.146377     -7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002394755314
                2s
                   +0 :              -0.00002270686481
                3s
                   +0 :               0.00004503378281
                2p
                   -1 :              -0.00020922694754
                   +0 :               0.00009177353109
                   +1 :               0.00020922694754
                3p
                   -1 :               0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :              -0.00018790954573
                3d
                   -2 :               0.00002590811612
                   -1 :               0.00000159865903
                   +0 :               0.00003472276080
                   +1 :              -0.00000159865903
                   +2 :              -0.00000000000000
             21 vec=     7.146377      7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002394755314
                2s
                   +0 :              -0.00002270686481
                3s
                   +0 :               0.00004503378281
                2p
                   -1 :               0.00020922694754
                   +0 :               0.00009177353109
                   +1 :               0.00020922694754
                3p
                   -1 :              -0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :              -0.00018790954573
                3d
                   -2 :              -0.00002590811612
                   -1 :              -0.00000159865903
                   +0 :               0.00003472276080
                   +1 :              -0.00000159865903
                   +2 :               0.00000000000000
             22 vec=   -10.719566    -10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00002495894010
                2s
                   +0 :               0.00028935612956
                3s
                   +0 :              -0.00025923297405
                2p
                   -1 :              -0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :              -0.00000091875973
                3p
                   -1 :               0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :               0.00030201917992
                3d
                   -2 :              -0.00007322977323
                   -1 :               0.00000628057166
                   +0 :               0.00005001445485
                   +1 :               0.00000628057166
                   +2 :               0.00000000000000
             23 vec=   -10.719566     10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00002495894010
                2s
                   +0 :               0.00028935612956
                3s
                   +0 :              -0.00025923297405
                2p
                   -1 :               0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :              -0.00000091875973
                3p
                   -1 :              -0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :               0.00030201917992
                3d
                   -2 :               0.00007322977323
                   -1 :              -0.00000628057166
                   +0 :               0.00005001445485
                   +1 :               0.00000628057166
                   +2 :              -0.00000000000000
             24 vec=    10.719566    -10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00002495894010
                2s
                   +0 :               0.00028935612956
                3s
                   +0 :              -0.00025923297405
                2p
                   -1 :              -0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :               0.00000091875973
                3p
                   -1 :               0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :              -0.00030201917992
                3d
                   -2 :               0.00007322977323
                   -1 :               0.00000628057166
                   +0 :               0.00005001445485
                   +1 :              -0.00000628057166
                   +2 :              -0.00000000000000
             25 vec=    10.719566     10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00002495894010
                2s
                   +0 :               0.00028935612956
                3s
                   +0 :              -0.00025923297405
                2p
                   -1 :               0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :               0.00000091875973
                3p
                   -1 :              -0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :              -0.00030201917992
                3d
                   -2 :              -0.00007322977323
                   -1 :              -0.00000628057166
                   +0 :               0.00005001445485
                   +1 :              -0.00000628057166
                   +2 :               0.00000000000000
             26 vec=     0.000000      0.000000     15.903130   |vec|=   15.903130
                1s
                   +0 :              -0.00033823454521
                2s
                   +0 :               0.00423440134546
                3s
                   +0 :              -0.00191909377981
                2p
                   +0 :               0.00537301732195
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00375305066812
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00030225167966
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             27 vec=   -14.292755      0.000000     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000106328199
                2s
                   +0 :              -0.00005285749047
                3s
                   +0 :               0.00009944371540
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00037039541541
                   +1 :               0.00016014662892
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00016020432433
                   +1 :              -0.00007133909873
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000374443002
                   +1 :               0.00001155589619
                   +2 :              -0.00001692271402
             28 vec=     0.000000    -14.292755     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000106328199
                2s
                   +0 :              -0.00005285749047
                3s
                   +0 :               0.00009944371540
                2p
                   -1 :               0.00016014662892
                   +0 :              -0.00037039541541
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00007133909873
                   +0 :               0.00016020432433
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001155589619
                   +0 :               0.00000374443002
                   +1 :              -0.00000000000000
                   +2 :               0.00001692271402
             29 vec=     0.000000     14.292755     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000106328199
                2s
                   +0 :              -0.00005285749047
                3s
                   +0 :               0.00009944371540
                2p
                   -1 :              -0.00016014662892
                   +0 :              -0.00037039541541
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007133909873
                   +0 :               0.00016020432433
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001155589619
                   +0 :               0.00000374443002
                   +1 :              -0.00000000000000
                   +2 :               0.00001692271402
             30 vec=    14.292755      0.000000     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000106328199
                2s
                   +0 :              -0.00005285749047
                3s
                   +0 :               0.00009944371540
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00037039541541
                   +1 :              -0.00016014662892
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00016020432433
                   +1 :               0.00007133909873
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000374443002
                   +1 :              -0.00001155589619
                   +2 :              -0.00001692271402
             31 vec=    -7.146377      0.000000     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00008598080429
                2s
                   +0 :               0.00081323609735
                3s
                   +0 :              -0.00029193885752
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00138067693831
                   +1 :               0.00081789595163
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00059187923164
                   +1 :              -0.00022791356542
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002013531424
                   +1 :               0.00001749668723
                   +2 :               0.00000199982048
             32 vec=     0.000000     -7.146377     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00008598080429
                2s
                   +0 :               0.00081323609735
                3s
                   +0 :              -0.00029193885752
                2p
                   -1 :               0.00081789595163
                   +0 :               0.00138067693831
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00022791356542
                   +0 :              -0.00059187923164
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00001749668723
                   +0 :              -0.00002013531424
                   +2 :              -0.00000199982048
             33 vec=     0.000000      7.146377     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00008598080429
                2s
                   +0 :               0.00081323609735
                3s
                   +0 :              -0.00029193885752
                2p
                   -1 :              -0.00081789595163
                   +0 :               0.00138067693831
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00022791356542
                   +0 :              -0.00059187923164
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001749668723
                   +0 :              -0.00002013531424
                   +1 :               0.00000000000000
                   +2 :              -0.00000199982048
             34 vec=     7.146377      0.000000     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00008598080429
                2s
                   +0 :               0.00081323609735
                3s
                   +0 :              -0.00029193885752
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00138067693831
                   +1 :              -0.00081789595163
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00059187923164
                   +1 :               0.00022791356542
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002013531424
                   +1 :              -0.00001749668723
                   +2 :               0.00000199982048
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site La(  1)  npairs=  41
              1 vec=     0.000000      0.000000      4.446467   |vec|=    4.446467
                5p
                   -1 :               0.00000000000000
                   +1 :               0.06423488351347
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.10173324011595
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00926686221903
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00686599877851
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.05840111411616
                   +2 :               0.00000000000000
                   +3 :               0.00287433085267
              2 vec=    -7.146377      0.000000      4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00156926056906
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00092294705129
                   +1 :              -0.00173749920537
                6s
                   +0 :               0.00588515154313
                7s
                   +0 :              -0.00147221718903
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00033063720713
                   +1 :               0.00676063706036
                   +2 :              -0.00049939821970
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00112190422527
                   +1 :              -0.00478536183309
                   +2 :               0.00183278833449
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00153210896897
                   +1 :              -0.00098483733367
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00039968143563
                   +1 :              -0.00025312297381
                   +2 :              -0.00023779186312
                   +3 :               0.00003734056875
              3 vec=     0.000000     -7.146377      4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00162304590006
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00242784371703
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00177887164828
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00028805989271
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00099788635188
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00030204450756
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00024543726916
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00041546490457
                   +2 :               0.00000000000000
                   +3 :               0.00005529025623
              4 vec=     0.000000      7.146377      4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00162304590006
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00242784371703
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00177887164828
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00028805989271
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00099788635188
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00030204450756
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00024543726916
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00041546490457
                   +2 :              -0.00000000000000
                   +3 :               0.00005529025623
              5 vec=     7.146377      0.000000      4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00156926056906
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00092294705129
                   +1 :              -0.00173749920537
                6s
                   +0 :              -0.00588515154313
                7s
                   +0 :               0.00147221718903
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00033063720713
                   +1 :               0.00676063706036
                   +2 :               0.00049939821970
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00112190422527
                   +1 :              -0.00478536183309
                   +2 :              -0.00183278833449
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00153210896897
                   +1 :              -0.00098483733367
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00039968143563
                   +1 :              -0.00025312297381
                   +2 :               0.00023779186312
                   +3 :               0.00003734056875
              6 vec=    -3.573189     -3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :              -0.00076200262633
                   +0 :               0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :              -0.00186077477119
                   +0 :               0.00187883008042
                   +1 :              -0.00093911973712
                   +2 :               0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :              -0.00013633198176
                   +0 :              -0.00041286554547
                   +1 :              -0.00000061940935
                   +2 :               0.00004761904319
                6p
                   -1 :              -0.00011655971724
                   +0 :              -0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :               0.00015779358523
                   -2 :               0.00020726350561
                   -1 :              -0.00036529986384
                   +0 :               0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :               0.00068264512012
                   +3 :              -0.00003279114529
              7 vec=    -3.573189      3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :               0.00076200262633
                   +0 :               0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :               0.00186077477119
                   +0 :               0.00187883008042
                   +1 :              -0.00093911973712
                   +2 :               0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :               0.00013633198176
                   +0 :              -0.00041286554547
                   +1 :              -0.00000061940935
                   +2 :               0.00004761904319
                6p
                   -1 :               0.00011655971724
                   +0 :              -0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :              -0.00015779358523
                   -2 :              -0.00020726350561
                   -1 :               0.00036529986384
                   +0 :               0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :               0.00068264512012
                   +3 :              -0.00003279114529
              8 vec=     3.573189     -3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :               0.00076200262633
                   +0 :              -0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :               0.00186077477119
                   +0 :              -0.00187883008042
                   +1 :              -0.00093911973712
                   +2 :              -0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :               0.00013633198176
                   +0 :               0.00041286554547
                   +1 :              -0.00000061940935
                   +2 :              -0.00004761904319
                6p
                   -1 :               0.00011655971724
                   +0 :               0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :              -0.00015779358523
                   -2 :               0.00020726350561
                   -1 :               0.00036529986384
                   +0 :              -0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :              -0.00068264512012
                   +3 :              -0.00003279114529
              9 vec=     3.573189      3.573189     -8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :              -0.00076200262633
                   +0 :              -0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :              -0.00186077477119
                   +0 :              -0.00187883008042
                   +1 :              -0.00093911973712
                   +2 :              -0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :              -0.00013633198176
                   +0 :               0.00041286554547
                   +1 :              -0.00000061940935
                   +2 :              -0.00004761904319
                6p
                   -1 :              -0.00011655971724
                   +0 :               0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :               0.00015779358523
                   -2 :              -0.00020726350561
                   -1 :              -0.00036529986384
                   +0 :              -0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :              -0.00068264512012
                   +3 :              -0.00003279114529
             10 vec=    -7.146377     -7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :              -0.00131121024457
                   +0 :               0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :              -0.00019542324443
                   +0 :               0.00151151593558
                   +1 :               0.00036754792223
                   +2 :               0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :               0.00005960073864
                   +0 :              -0.00014668510794
                   +1 :              -0.00067829676413
                   +2 :              -0.00004016087647
                6p
                   -1 :              -0.00025425585277
                   +0 :               0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :              -0.00089021872414
                   -2 :               0.00114343686994
                   -1 :               0.00195898741525
                   +0 :              -0.00038515067323
                   +1 :               0.00193134017014
                   +2 :              -0.00053564333222
                   +3 :               0.00098704615542
             11 vec=    -7.146377      7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :               0.00131121024457
                   +0 :               0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :               0.00019542324443
                   +0 :               0.00151151593558
                   +1 :               0.00036754792223
                   +2 :               0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :              -0.00005960073864
                   +0 :              -0.00014668510794
                   +1 :              -0.00067829676413
                   +2 :              -0.00004016087647
                6p
                   -1 :               0.00025425585277
                   +0 :               0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :               0.00089021872414
                   -2 :              -0.00114343686994
                   -1 :              -0.00195898741525
                   +0 :              -0.00038515067323
                   +1 :               0.00193134017014
                   +2 :              -0.00053564333222
                   +3 :               0.00098704615542
             12 vec=     7.146377     -7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :               0.00131121024457
                   +0 :              -0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :               0.00019542324443
                   +0 :              -0.00151151593558
                   +1 :               0.00036754792223
                   +2 :              -0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :              -0.00005960073864
                   +0 :               0.00014668510794
                   +1 :              -0.00067829676413
                   +2 :               0.00004016087647
                6p
                   -1 :               0.00025425585277
                   +0 :              -0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :               0.00089021872414
                   -2 :               0.00114343686994
                   -1 :              -0.00195898741525
                   +0 :               0.00038515067323
                   +1 :               0.00193134017014
                   +2 :               0.00053564333222
                   +3 :               0.00098704615542
             13 vec=     7.146377      7.146377      4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :              -0.00131121024457
                   +0 :              -0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :              -0.00019542324443
                   +0 :              -0.00151151593558
                   +1 :               0.00036754792223
                   +2 :              -0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :               0.00005960073864
                   +0 :               0.00014668510794
                   +1 :              -0.00067829676413
                   +2 :               0.00004016087647
                6p
                   -1 :              -0.00025425585277
                   +0 :              -0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :              -0.00089021872414
                   -2 :              -0.00114343686994
                   -1 :               0.00195898741525
                   +0 :               0.00038515067323
                   +1 :               0.00193134017014
                   +2 :               0.00053564333222
                   +3 :               0.00098704615542
             14 vec=   -10.719566     -3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :              -0.00025215604938
                   +0 :               0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :               0.00022923120985
                   +0 :              -0.00036883364689
                   +1 :              -0.00124316127098
                   +2 :              -0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :              -0.00014786637084
                   +0 :               0.00017961363509
                   +1 :               0.00021157055676
                   +2 :               0.00015568044606
                6p
                   -1 :               0.00000927464578
                   +0 :              -0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :               0.00005244663354
                   -2 :               0.00014633114174
                   -1 :              -0.00009559393035
                   +0 :              -0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :              -0.00053173594407
                   +3 :              -0.00016556156303
             15 vec=   -10.719566      3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :               0.00025215604938
                   +0 :               0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :              -0.00022923120985
                   +0 :              -0.00036883364689
                   +1 :              -0.00124316127098
                   +2 :              -0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :               0.00014786637084
                   +0 :               0.00017961363509
                   +1 :               0.00021157055676
                   +2 :               0.00015568044606
                6p
                   -1 :              -0.00000927464578
                   +0 :              -0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :              -0.00005244663354
                   -2 :              -0.00014633114174
                   -1 :               0.00009559393035
                   +0 :              -0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :              -0.00053173594407
                   +3 :              -0.00016556156303
             16 vec=    -3.573189    -10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :              -0.00078957035185
                   +0 :              -0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :              -0.00191143558620
                   +0 :              -0.00005912043181
                   +1 :               0.00009777446845
                   +2 :               0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :              -0.00047913123547
                   +0 :              -0.00021658998147
                   +1 :              -0.00003032218421
                   +2 :               0.00031822693185
                6p
                   -1 :               0.00000003594099
                   +0 :               0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :               0.00031299304337
                   -2 :              -0.00001606999526
                   -1 :              -0.00080146361794
                   +0 :              -0.00004905618656
                   +1 :               0.00001753532624
                   +2 :               0.00097093351079
                   +3 :               0.00009897536100
             17 vec=    -3.573189     10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :               0.00078957035185
                   +0 :              -0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :               0.00191143558620
                   +0 :              -0.00005912043181
                   +1 :               0.00009777446845
                   +2 :               0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :               0.00047913123547
                   +0 :              -0.00021658998147
                   +1 :              -0.00003032218421
                   +2 :               0.00031822693185
                6p
                   -1 :              -0.00000003594099
                   +0 :               0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :              -0.00031299304337
                   -2 :               0.00001606999526
                   -1 :               0.00080146361794
                   +0 :              -0.00004905618656
                   +1 :               0.00001753532624
                   +2 :               0.00097093351079
                   +3 :               0.00009897536100
             18 vec=     3.573189    -10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :               0.00078957035185
                   +0 :               0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :               0.00191143558620
                   +0 :               0.00005912043181
                   +1 :               0.00009777446845
                   +2 :              -0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :               0.00047913123547
                   +0 :               0.00021658998147
                   +1 :              -0.00003032218421
                   +2 :              -0.00031822693185
                6p
                   -1 :              -0.00000003594099
                   +0 :              -0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :              -0.00031299304337
                   -2 :              -0.00001606999526
                   -1 :               0.00080146361794
                   +0 :               0.00004905618656
                   +1 :               0.00001753532624
                   +2 :              -0.00097093351079
                   +3 :               0.00009897536100
             19 vec=     3.573189     10.719566     -8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :              -0.00078957035185
                   +0 :               0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :              -0.00191143558620
                   +0 :               0.00005912043181
                   +1 :               0.00009777446845
                   +2 :              -0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :              -0.00047913123547
                   +0 :               0.00021658998147
                   +1 :              -0.00003032218421
                   +2 :              -0.00031822693185
                6p
                   -1 :               0.00000003594099
                   +0 :              -0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :               0.00031299304337
                   -2 :               0.00001606999526
                   -1 :              -0.00080146361794
                   +0 :               0.00004905618656
                   +1 :               0.00001753532624
                   +2 :              -0.00097093351079
                   +3 :               0.00009897536100
             20 vec=    10.719566     -3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :               0.00025215604938
                   +0 :              -0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :              -0.00022923120985
                   +0 :               0.00036883364689
                   +1 :              -0.00124316127098
                   +2 :               0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :               0.00014786637084
                   +0 :              -0.00017961363509
                   +1 :               0.00021157055676
                   +2 :              -0.00015568044606
                6p
                   -1 :              -0.00000927464578
                   +0 :               0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :              -0.00005244663354
                   -2 :               0.00014633114174
                   -1 :               0.00009559393035
                   +0 :               0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :               0.00053173594407
                   +3 :              -0.00016556156303
             21 vec=    10.719566      3.573189     -8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :              -0.00025215604938
                   +0 :              -0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :               0.00022923120985
                   +0 :               0.00036883364689
                   +1 :              -0.00124316127098
                   +2 :               0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :              -0.00014786637084
                   +0 :              -0.00017961363509
                   +1 :               0.00021157055676
                   +2 :              -0.00015568044606
                6p
                   -1 :               0.00000927464578
                   +0 :               0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :               0.00005244663354
                   -2 :              -0.00014633114174
                   -1 :              -0.00009559393035
                   +0 :               0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :               0.00053173594407
                   +3 :              -0.00016556156303
             22 vec=   -14.292755      0.000000      4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00003671152910
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00008331959673
                   +1 :               0.00020084385193
                6s
                   +0 :               0.00010051679474
                7s
                   +0 :               0.00007013697343
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00011880225193
                   +1 :              -0.00039836717465
                   +2 :               0.00119406541142
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002220167958
                   +1 :               0.00026029149671
                   +2 :              -0.00029775500165
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00006376280401
                   +1 :              -0.00016673825626
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00014142973199
                   +1 :              -0.00019863543936
                   +2 :              -0.00042612379447
                   +3 :               0.00045109182092
             23 vec=     0.000000    -14.292755      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001366061391
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00006818952292
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00005268732700
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004150739544
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002237073782
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000011024277
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00003375030344
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00010770067462
                   +2 :              -0.00000000000000
                   +3 :              -0.00013892566273
             24 vec=     0.000000     14.292755      4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001366061391
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00006818952292
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00005268732700
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004150739544
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002237073782
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000011024277
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00003375030344
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00010770067462
                   +2 :               0.00000000000000
                   +3 :              -0.00013892566273
             25 vec=    14.292755      0.000000      4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00003671152910
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00008331959673
                   +1 :               0.00020084385193
                6s
                   +0 :              -0.00010051679474
                7s
                   +0 :              -0.00007013697343
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00011880225193
                   +1 :              -0.00039836717465
                   +2 :              -0.00119406541142
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00002220167958
                   +1 :               0.00026029149671
                   +2 :               0.00029775500165
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00006376280401
                   +1 :              -0.00016673825626
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00014142973199
                   +1 :              -0.00019863543936
                   +2 :               0.00042612379447
                   +3 :               0.00045109182092
             26 vec=   -14.292755     -7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :               0.00006340173054
                   +0 :               0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :              -0.00004528706388
                   +0 :               0.00012885625891
                   +1 :              -0.00002109344358
                   +2 :               0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :              -0.00001704004619
                   +0 :               0.00000217085357
                   +1 :               0.00001782824303
                   +2 :              -0.00007098342465
                6p
                   -1 :              -0.00003218903962
                   +0 :              -0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :               0.00002409897074
                   -2 :              -0.00003778975261
                   -1 :               0.00008389061919
                   +0 :               0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :              -0.00027728800124
                   +3 :               0.00033025840688
             27 vec=   -14.292755      7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :              -0.00006340173054
                   +0 :               0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :               0.00004528706388
                   +0 :               0.00012885625891
                   +1 :              -0.00002109344358
                   +2 :               0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :               0.00001704004619
                   +0 :               0.00000217085357
                   +1 :               0.00001782824303
                   +2 :              -0.00007098342465
                6p
                   -1 :               0.00003218903962
                   +0 :              -0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :              -0.00002409897074
                   -2 :               0.00003778975261
                   -1 :              -0.00008389061919
                   +0 :               0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :              -0.00027728800124
                   +3 :               0.00033025840688
             28 vec=    -7.146377    -14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :              -0.00005581222147
                   +0 :              -0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :               0.00018624562078
                   +0 :               0.00016768121631
                   +1 :              -0.00005902356971
                   +2 :               0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :              -0.00008843535406
                   +0 :              -0.00002016167208
                   +1 :              -0.00001983821299
                   +2 :              -0.00010138405863
                6p
                   -1 :              -0.00013217137715
                   +0 :               0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :               0.00012674618846
                   -2 :              -0.00002473436885
                   -1 :               0.00006799674666
                   +0 :              -0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :              -0.00018554806550
                   +3 :               0.00007163611924
             29 vec=    -7.146377     14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :               0.00005581222147
                   +0 :              -0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :              -0.00018624562078
                   +0 :               0.00016768121631
                   +1 :              -0.00005902356971
                   +2 :               0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :               0.00008843535406
                   +0 :              -0.00002016167208
                   +1 :              -0.00001983821299
                   +2 :              -0.00010138405863
                6p
                   -1 :               0.00013217137715
                   +0 :               0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :              -0.00012674618846
                   -2 :               0.00002473436885
                   -1 :              -0.00006799674666
                   +0 :              -0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :              -0.00018554806550
                   +3 :               0.00007163611924
             30 vec=     7.146377    -14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :               0.00005581222147
                   +0 :               0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :              -0.00018624562078
                   +0 :              -0.00016768121631
                   +1 :              -0.00005902356971
                   +2 :              -0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :               0.00008843535406
                   +0 :               0.00002016167208
                   +1 :              -0.00001983821299
                   +2 :               0.00010138405863
                6p
                   -1 :               0.00013217137715
                   +0 :              -0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :              -0.00012674618846
                   -2 :              -0.00002473436885
                   -1 :              -0.00006799674666
                   +0 :               0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :               0.00018554806550
                   +3 :               0.00007163611924
             31 vec=     7.146377     14.292755      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :              -0.00005581222147
                   +0 :               0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :               0.00018624562078
                   +0 :              -0.00016768121631
                   +1 :              -0.00005902356971
                   +2 :              -0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :              -0.00008843535406
                   +0 :               0.00002016167208
                   +1 :              -0.00001983821299
                   +2 :               0.00010138405863
                6p
                   -1 :              -0.00013217137715
                   +0 :              -0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :               0.00012674618846
                   -2 :               0.00002473436885
                   -1 :               0.00006799674666
                   +0 :               0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :               0.00018554806550
                   +3 :               0.00007163611924
             32 vec=    14.292755     -7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :              -0.00006340173054
                   +0 :              -0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :               0.00004528706388
                   +0 :              -0.00012885625891
                   +1 :              -0.00002109344358
                   +2 :              -0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :               0.00001704004619
                   +0 :              -0.00000217085357
                   +1 :               0.00001782824303
                   +2 :               0.00007098342465
                6p
                   -1 :               0.00003218903962
                   +0 :               0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :              -0.00002409897074
                   -2 :              -0.00003778975261
                   -1 :              -0.00008389061919
                   +0 :              -0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :               0.00027728800124
                   +3 :               0.00033025840688
             33 vec=    14.292755      7.146377      4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :               0.00006340173054
                   +0 :              -0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :              -0.00004528706388
                   +0 :              -0.00012885625891
                   +1 :              -0.00002109344358
                   +2 :              -0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :              -0.00001704004619
                   +0 :              -0.00000217085357
                   +1 :               0.00001782824303
                   +2 :               0.00007098342465
                6p
                   -1 :              -0.00003218903962
                   +0 :               0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :               0.00002409897074
                   -2 :               0.00003778975261
                   -1 :               0.00008389061919
                   +0 :              -0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :               0.00027728800124
                   +3 :               0.00033025840688
             34 vec=   -10.719566    -10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :              -0.00001784522614
                   +0 :               0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :              -0.00000645898121
                   +0 :               0.00005710908902
                   +1 :              -0.00006563698457
                   +2 :              -0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :               0.00006353251969
                   +0 :              -0.00002749191816
                   +1 :               0.00003147497634
                   +2 :               0.00000691475844
                6p
                   -1 :               0.00000161281955
                   +0 :              -0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :              -0.00016672000716
                   -2 :               0.00001896871303
                   -1 :              -0.00005325970660
                   +0 :              -0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :              -0.00003542040258
                   +3 :               0.00000310559823
             35 vec=   -10.719566     10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :               0.00001784522614
                   +0 :               0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :               0.00000645898121
                   +0 :               0.00005710908902
                   +1 :              -0.00006563698457
                   +2 :              -0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :              -0.00006353251969
                   +0 :              -0.00002749191816
                   +1 :               0.00003147497634
                   +2 :               0.00000691475844
                6p
                   -1 :              -0.00000161281955
                   +0 :              -0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :               0.00016672000716
                   -2 :              -0.00001896871303
                   -1 :               0.00005325970660
                   +0 :              -0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :              -0.00003542040258
                   +3 :               0.00000310559823
             36 vec=    10.719566    -10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :               0.00001784522614
                   +0 :              -0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :               0.00000645898121
                   +0 :              -0.00005710908902
                   +1 :              -0.00006563698457
                   +2 :               0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :              -0.00006353251969
                   +0 :               0.00002749191816
                   +1 :               0.00003147497634
                   +2 :              -0.00000691475844
                6p
                   -1 :              -0.00000161281955
                   +0 :               0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :               0.00016672000716
                   -2 :               0.00001896871303
                   -1 :               0.00005325970660
                   +0 :               0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :               0.00003542040258
                   +3 :               0.00000310559823
             37 vec=    10.719566     10.719566     -8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :              -0.00001784522614
                   +0 :              -0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :              -0.00000645898121
                   +0 :              -0.00005710908902
                   +1 :              -0.00006563698457
                   +2 :               0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :               0.00006353251969
                   +0 :               0.00002749191816
                   +1 :               0.00003147497634
                   +2 :              -0.00000691475844
                6p
                   -1 :               0.00000161281955
                   +0 :               0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :              -0.00016672000716
                   -2 :              -0.00001896871303
                   -1 :              -0.00005325970660
                   +0 :               0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :               0.00003542040258
                   +3 :               0.00000310559823
             38 vec=    -3.573189     -3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :               0.00008976458596
                   +0 :               0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :               0.00020898222859
                   +0 :               0.00024682303584
                   +1 :               0.00000123796509
                   +2 :               0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :              -0.00007379173922
                   +0 :              -0.00018821339040
                   +1 :               0.00005710446136
                   +2 :              -0.00003336600327
                6p
                   -1 :              -0.00007073409934
                   +0 :              -0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :              -0.00000019253933
                   -2 :              -0.00001870264096
                   -1 :              -0.00002115570034
                   +0 :              -0.00002027663874
                   +1 :               0.00000072993363
                   +2 :              -0.00001482938036
                   +3 :               0.00001006219202
             39 vec=    -3.573189      3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :              -0.00008976458596
                   +0 :               0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :              -0.00020898222859
                   +0 :               0.00024682303584
                   +1 :               0.00000123796509
                   +2 :               0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :               0.00007379173922
                   +0 :              -0.00018821339040
                   +1 :               0.00005710446136
                   +2 :              -0.00003336600327
                6p
                   -1 :               0.00007073409934
                   +0 :              -0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :               0.00000019253933
                   -2 :               0.00001870264096
                   -1 :               0.00002115570034
                   +0 :              -0.00002027663874
                   +1 :               0.00000072993363
                   +2 :              -0.00001482938036
                   +3 :               0.00001006219202
             40 vec=     3.573189     -3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :              -0.00008976458596
                   +0 :              -0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :              -0.00020898222859
                   +0 :              -0.00024682303584
                   +1 :               0.00000123796509
                   +2 :              -0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :               0.00007379173922
                   +0 :               0.00018821339040
                   +1 :               0.00005710446136
                   +2 :               0.00003336600327
                6p
                   -1 :               0.00007073409934
                   +0 :               0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :               0.00000019253933
                   -2 :              -0.00001870264096
                   -1 :               0.00002115570034
                   +0 :               0.00002027663874
                   +1 :               0.00000072993363
                   +2 :               0.00001482938036
                   +3 :               0.00001006219202
             41 vec=     3.573189      3.573189     16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :               0.00008976458596
                   +0 :              -0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :               0.00020898222859
                   +0 :              -0.00024682303584
                   +1 :               0.00000123796509
                   +2 :              -0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :              -0.00007379173922
                   +0 :               0.00018821339040
                   +1 :               0.00005710446136
                   +2 :               0.00003336600327
                6p
                   -1 :              -0.00007073409934
                   +0 :               0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :              -0.00000019253933
                   -2 :               0.00001870264096
                   -1 :              -0.00002115570034
                   +0 :               0.00002027663874
                   +1 :               0.00000072993363
                   +2 :               0.00001482938036
                   +3 :               0.00001006219202
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site La(  2)  npairs=  34
              1 vec=    -3.573189     -3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :              -0.08227888251598
                   +0 :              -0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :              -0.03326120532581
                   +0 :               0.03208793471326
                   +1 :              -0.01683261061960
                   +2 :               0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :               0.00298719194765
                   +0 :               0.00192560839971
                   +1 :              -0.00129911910529
                   +2 :              -0.00404106230453
                6p
                   -1 :              -0.00800772146902
                   +0 :              -0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :              -0.00541074852406
                   -2 :              -0.01549615231281
                   -1 :               0.01364884628505
                   +0 :               0.01250709297084
                   +1 :               0.00712582338198
                   +2 :               0.00753488302829
                   +3 :               0.02858680960397
              2 vec=    -3.573189      3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :               0.08227888251598
                   +0 :              -0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :               0.03326120532581
                   +0 :               0.03208793471326
                   +1 :              -0.01683261061960
                   +2 :               0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :              -0.00298719194765
                   +0 :               0.00192560839971
                   +1 :              -0.00129911910529
                   +2 :              -0.00404106230453
                6p
                   -1 :               0.00800772146902
                   +0 :              -0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :               0.00541074852406
                   -2 :               0.01549615231281
                   -1 :              -0.01364884628505
                   +0 :               0.01250709297084
                   +1 :               0.00712582338198
                   +2 :               0.00753488302829
                   +3 :               0.02858680960397
              3 vec=     3.573189     -3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :               0.08227888251598
                   +0 :               0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :               0.03326120532581
                   +0 :              -0.03208793471326
                   +1 :              -0.01683261061960
                   +2 :              -0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :              -0.00298719194765
                   +0 :              -0.00192560839971
                   +1 :              -0.00129911910529
                   +2 :               0.00404106230453
                6p
                   -1 :               0.00800772146902
                   +0 :               0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :               0.00541074852406
                   -2 :              -0.01549615231281
                   -1 :              -0.01364884628505
                   +0 :              -0.01250709297084
                   +1 :               0.00712582338198
                   +2 :              -0.00753488302829
                   +3 :               0.02858680960397
              4 vec=     3.573189      3.573189     -1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :              -0.08227888251598
                   +0 :               0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :              -0.03326120532581
                   +0 :              -0.03208793471326
                   +1 :              -0.01683261061960
                   +2 :              -0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :               0.00298719194765
                   +0 :              -0.00192560839971
                   +1 :              -0.00129911910529
                   +2 :               0.00404106230453
                6p
                   -1 :              -0.00800772146902
                   +0 :               0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :              -0.00541074852406
                   -2 :               0.01549615231281
                   -1 :               0.01364884628505
                   +0 :              -0.01250709297084
                   +1 :               0.00712582338198
                   +2 :              -0.00753488302829
                   +3 :               0.02858680960397
              5 vec=   -10.719566     -3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :              -0.00054362310281
                   +0 :              -0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :               0.00004783419230
                   +0 :               0.00156424730693
                   +1 :              -0.00096664435939
                   +2 :              -0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :               0.00026638515465
                   +0 :              -0.00063951963368
                   +1 :               0.00022106529893
                   +2 :               0.00071740938417
                6p
                   -1 :               0.00004895411188
                   +0 :               0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :              -0.00078034915005
                   -2 :              -0.00004856537930
                   -1 :              -0.00001755126458
                   +0 :               0.00068937302327
                   +1 :               0.00045552011530
                   +2 :              -0.00056192465122
                   +3 :              -0.00031626653516
              6 vec=   -10.719566      3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :               0.00054362310281
                   +0 :              -0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :              -0.00004783419230
                   +0 :               0.00156424730693
                   +1 :              -0.00096664435939
                   +2 :              -0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :              -0.00026638515465
                   +0 :              -0.00063951963368
                   +1 :               0.00022106529893
                   +2 :               0.00071740938417
                6p
                   -1 :              -0.00004895411188
                   +0 :               0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :               0.00078034915005
                   -2 :               0.00004856537930
                   -1 :               0.00001755126458
                   +0 :               0.00068937302327
                   +1 :               0.00045552011530
                   +2 :              -0.00056192465122
                   +3 :              -0.00031626653516
              7 vec=    -3.573189    -10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :              -0.00166863909623
                   +0 :              -0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :              -0.00045289607543
                   +0 :               0.00043839391877
                   +1 :               0.00049394790317
                   +2 :               0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :              -0.00027051749658
                   +0 :               0.00017854555947
                   +1 :              -0.00011983136585
                   +2 :               0.00018705866771
                6p
                   -1 :              -0.00140665170866
                   +0 :              -0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :              -0.00021612930547
                   -2 :               0.00012936480411
                   -1 :              -0.00019669045640
                   +0 :               0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :              -0.00033681782588
                   +3 :               0.00112615195221
              8 vec=    -3.573189     10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :               0.00166863909623
                   +0 :              -0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :               0.00045289607543
                   +0 :               0.00043839391877
                   +1 :               0.00049394790317
                   +2 :               0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :               0.00027051749658
                   +0 :               0.00017854555947
                   +1 :              -0.00011983136585
                   +2 :               0.00018705866771
                6p
                   -1 :               0.00140665170866
                   +0 :              -0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :               0.00021612930547
                   -2 :              -0.00012936480411
                   -1 :               0.00019669045640
                   +0 :               0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :              -0.00033681782588
                   +3 :               0.00112615195221
              9 vec=     3.573189    -10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :               0.00166863909623
                   +0 :               0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :               0.00045289607543
                   +0 :              -0.00043839391877
                   +1 :               0.00049394790317
                   +2 :              -0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :               0.00027051749658
                   +0 :              -0.00017854555947
                   +1 :              -0.00011983136585
                   +2 :              -0.00018705866771
                6p
                   -1 :               0.00140665170866
                   +0 :               0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :               0.00021612930547
                   -2 :               0.00012936480411
                   -1 :               0.00019669045640
                   +0 :              -0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :               0.00033681782588
                   +3 :               0.00112615195221
             10 vec=     3.573189     10.719566     -1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :              -0.00166863909623
                   +0 :               0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :              -0.00045289607543
                   +0 :              -0.00043839391877
                   +1 :               0.00049394790317
                   +2 :              -0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :              -0.00027051749658
                   +0 :              -0.00017854555947
                   +1 :              -0.00011983136585
                   +2 :              -0.00018705866771
                6p
                   -1 :              -0.00140665170866
                   +0 :               0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :              -0.00021612930547
                   -2 :              -0.00012936480411
                   -1 :              -0.00019669045640
                   +0 :              -0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :               0.00033681782588
                   +3 :               0.00112615195221
             11 vec=    10.719566     -3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :               0.00054362310281
                   +0 :               0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :              -0.00004783419230
                   +0 :              -0.00156424730693
                   +1 :              -0.00096664435939
                   +2 :               0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :              -0.00026638515465
                   +0 :               0.00063951963368
                   +1 :               0.00022106529893
                   +2 :              -0.00071740938417
                6p
                   -1 :              -0.00004895411188
                   +0 :              -0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :               0.00078034915005
                   -2 :              -0.00004856537930
                   -1 :               0.00001755126458
                   +0 :              -0.00068937302327
                   +1 :               0.00045552011530
                   +2 :               0.00056192465122
                   +3 :              -0.00031626653516
             12 vec=    10.719566      3.573189     -1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :              -0.00054362310281
                   +0 :               0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :               0.00004783419230
                   +0 :              -0.00156424730693
                   +1 :              -0.00096664435939
                   +2 :               0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :               0.00026638515465
                   +0 :               0.00063951963368
                   +1 :               0.00022106529893
                   +2 :              -0.00071740938417
                6p
                   -1 :               0.00004895411188
                   +0 :              -0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :              -0.00078034915005
                   -2 :               0.00004856537930
                   -1 :              -0.00001755126458
                   +0 :              -0.00068937302327
                   +1 :               0.00045552011530
                   +2 :               0.00056192465122
                   +3 :              -0.00031626653516
             13 vec=     0.000000      0.000000     11.456663   |vec|=   11.456663
                5s
                   +0 :              -0.00000000000000
                5p
                   +0 :               0.00000000000000
                   +1 :               0.00066224307083
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00303483150860
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00184200057634
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00095067387054
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00022837298084
                   +2 :              -0.00000000000000
                   +3 :              -0.00068557735169
             14 vec=    -7.146377      0.000000     11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00142362402535
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00114283383424
                   +1 :               0.00122662648551
                6s
                   +0 :               0.00058782316591
                7s
                   +0 :              -0.00024059125392
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00006358943724
                   +1 :              -0.00225180670006
                   +2 :               0.00193863526457
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00024378040302
                   +1 :              -0.00036551319733
                   +2 :               0.00022597431413
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00021806853344
                   +1 :              -0.00007672645912
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002035339133
                   +1 :               0.00085782339167
                   +2 :              -0.00131737275570
                   +3 :               0.00039214798733
             15 vec=     0.000000     -7.146377     11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00039196865390
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00044919353632
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002544095189
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00033289612724
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00029478586322
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00012250660049
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00013269228931
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004541385857
                   +2 :               0.00000000000000
                   +3 :               0.00014046041973
             16 vec=     0.000000      7.146377     11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00039196865390
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00044919353632
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002544095189
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00033289612724
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00029478586322
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00012250660049
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00013269228931
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004541385857
                   +2 :               0.00000000000000
                   +3 :               0.00014046041973
             17 vec=     7.146377      0.000000     11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00142362402535
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00114283383424
                   +1 :               0.00122662648551
                6s
                   +0 :              -0.00058782316591
                7s
                   +0 :               0.00024059125392
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00006358943724
                   +1 :              -0.00225180670006
                   +2 :              -0.00193863526457
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00024378040302
                   +1 :              -0.00036551319733
                   +2 :              -0.00022597431413
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00021806853344
                   +1 :              -0.00007672645912
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002035339133
                   +1 :               0.00085782339167
                   +2 :               0.00131737275570
                   +3 :               0.00039214798733
             18 vec=     0.000000      0.000000    -13.579751   |vec|=   13.579751
                5s
                   +0 :               0.00000000000000
                5p
                   +0 :               0.00000000000000
                   +1 :              -0.00011583218729
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00091585277263
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00022795505033
                   +2 :               0.00000000000000
                6p
                   +0 :               0.00000000000000
                   +1 :              -0.00004969194389
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00041573570754
                   +2 :               0.00000000000000
                   +3 :              -0.00014606277819
             19 vec=   -10.719566    -10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :              -0.00031381645225
                   +0 :              -0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :              -0.00135614493841
                   +0 :               0.00093962323009
                   +1 :              -0.00145789787449
                   +2 :              -0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :               0.00016191341876
                   +0 :               0.00010778161816
                   +1 :               0.00024451632751
                   +2 :               0.00015908516993
                6p
                   -1 :              -0.00025661326626
                   +0 :              -0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :              -0.00095229123119
                   -2 :              -0.00091644218607
                   -1 :               0.00029091851500
                   +0 :               0.00070406379794
                   +1 :               0.00046749184551
                   +2 :              -0.00033489055551
                   +3 :               0.00035824641829
             20 vec=   -10.719566     10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :               0.00031381645225
                   +0 :              -0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :               0.00135614493841
                   +0 :               0.00093962323009
                   +1 :              -0.00145789787449
                   +2 :              -0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :              -0.00016191341876
                   +0 :               0.00010778161816
                   +1 :               0.00024451632751
                   +2 :               0.00015908516993
                6p
                   -1 :               0.00025661326626
                   +0 :              -0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :               0.00095229123119
                   -2 :               0.00091644218607
                   -1 :              -0.00029091851500
                   +0 :               0.00070406379794
                   +1 :               0.00046749184551
                   +2 :              -0.00033489055551
                   +3 :               0.00035824641829
             21 vec=    10.719566    -10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :               0.00031381645225
                   +0 :               0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :               0.00135614493841
                   +0 :              -0.00093962323009
                   +1 :              -0.00145789787449
                   +2 :               0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :              -0.00016191341876
                   +0 :              -0.00010778161816
                   +1 :               0.00024451632751
                   +2 :              -0.00015908516993
                6p
                   -1 :               0.00025661326626
                   +0 :               0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :               0.00095229123119
                   -2 :              -0.00091644218607
                   -1 :              -0.00029091851500
                   +0 :              -0.00070406379794
                   +1 :               0.00046749184551
                   +2 :               0.00033489055551
                   +3 :               0.00035824641829
             22 vec=    10.719566     10.719566     -1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :              -0.00031381645225
                   +0 :               0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :              -0.00135614493841
                   +0 :              -0.00093962323009
                   +1 :              -0.00145789787449
                   +2 :               0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :               0.00016191341876
                   +0 :              -0.00010778161816
                   +1 :               0.00024451632751
                   +2 :              -0.00015908516993
                6p
                   -1 :              -0.00025661326626
                   +0 :               0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :              -0.00095229123119
                   -2 :               0.00091644218607
                   -1 :               0.00029091851500
                   +0 :              -0.00070406379794
                   +1 :               0.00046749184551
                   +2 :               0.00033489055551
                   +3 :               0.00035824641829
             23 vec=    -7.146377     -7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :              -0.00004488562942
                   +0 :              -0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :              -0.00006384592461
                   +0 :               0.00015683289519
                   +1 :              -0.00006989040868
                   +2 :               0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :               0.00007041041773
                   +0 :               0.00000647198193
                   +1 :               0.00016994547369
                   +2 :              -0.00004726088862
                6p
                   -1 :              -0.00002004912542
                   +0 :               0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :               0.00012158775374
                   -2 :              -0.00009392131604
                   -1 :               0.00004321150074
                   +0 :              -0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :              -0.00008298440017
                   +3 :              -0.00010460428085
             24 vec=    -7.146377      7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :               0.00004488562942
                   +0 :              -0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :               0.00006384592461
                   +0 :               0.00015683289519
                   +1 :              -0.00006989040868
                   +2 :               0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :              -0.00007041041773
                   +0 :               0.00000647198193
                   +1 :               0.00016994547369
                   +2 :              -0.00004726088862
                6p
                   -1 :               0.00002004912542
                   +0 :               0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :              -0.00012158775374
                   -2 :               0.00009392131604
                   -1 :              -0.00004321150074
                   +0 :              -0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :              -0.00008298440017
                   +3 :              -0.00010460428085
             25 vec=     7.146377     -7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :               0.00004488562942
                   +0 :               0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :               0.00006384592461
                   +0 :              -0.00015683289519
                   +1 :              -0.00006989040868
                   +2 :              -0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :              -0.00007041041773
                   +0 :              -0.00000647198193
                   +1 :               0.00016994547369
                   +2 :               0.00004726088862
                6p
                   -1 :               0.00002004912542
                   +0 :              -0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :              -0.00012158775374
                   -2 :              -0.00009392131604
                   -1 :              -0.00004321150074
                   +0 :               0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :               0.00008298440017
                   +3 :              -0.00010460428085
             26 vec=     7.146377      7.146377     11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :              -0.00004488562942
                   +0 :               0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :              -0.00006384592461
                   +0 :              -0.00015683289519
                   +1 :              -0.00006989040868
                   +2 :              -0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :               0.00007041041773
                   +0 :              -0.00000647198193
                   +1 :               0.00016994547369
                   +2 :               0.00004726088862
                6p
                   -1 :              -0.00002004912542
                   +0 :              -0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :               0.00012158775374
                   -2 :               0.00009392131604
                   -1 :               0.00004321150074
                   +0 :               0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :               0.00008298440017
                   +3 :              -0.00010460428085
             27 vec=    -7.146377      0.000000    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00026066645725
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00050048077745
                   +1 :               0.00012591975310
                6s
                   +0 :               0.00023571540106
                7s
                   +0 :              -0.00000323730309
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00088982523603
                   +1 :               0.00049105000383
                   +2 :               0.00013964226262
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004737170155
                   +1 :              -0.00012188650245
                   +2 :              -0.00002548777278
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00001644833177
                   +1 :               0.00002917343109
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00060913078671
                   +1 :               0.00020807192442
                   +2 :               0.00008361794885
                   +3 :               0.00001017176117
             28 vec=     0.000000     -7.146377    -13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00006150344320
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00028052027744
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00034033307734
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00007526783968
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00006081898537
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001665007872
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000986970808
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003885346034
                   +2 :              -0.00000000000000
                   +3 :              -0.00007478109075
             29 vec=     0.000000      7.146377    -13.579751   |vec|=   15.345369
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00006150344320
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00028052027744
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00034033307734
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00007526783968
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006081898537
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001665007872
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000986970808
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003885346034
                   +2 :              -0.00000000000000
                   +3 :              -0.00007478109075
             30 vec=     7.146377      0.000000    -13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00026066645725
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00050048077745
                   +1 :               0.00012591975310
                6s
                   +0 :              -0.00023571540106
                7s
                   +0 :               0.00000323730309
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00088982523603
                   +1 :               0.00049105000383
                   +2 :              -0.00013964226262
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004737170155
                   +1 :              -0.00012188650245
                   +2 :               0.00002548777278
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00001644833177
                   +1 :               0.00002917343109
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00060913078671
                   +1 :               0.00020807192442
                   +2 :              -0.00008361794885
                   +3 :               0.00001017176117
             31 vec=    -7.146377     -7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :               0.00003070947413
                   +0 :               0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :               0.00002183750112
                   +0 :              -0.00026087742881
                   +1 :               0.00012690952574
                   +2 :               0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :               0.00005098546629
                   +0 :               0.00013617303020
                   +1 :              -0.00001268342857
                   +2 :              -0.00001846079395
                6p
                   -1 :               0.00000671037333
                   +0 :              -0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :               0.00003782192348
                   -2 :              -0.00000459382652
                   -1 :               0.00004417456967
                   +0 :              -0.00011994927883
                   +1 :               0.00001576189199
                   +2 :               0.00007013765147
                   +3 :              -0.00001476894557
             32 vec=    -7.146377      7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :              -0.00003070947413
                   +0 :               0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :              -0.00002183750112
                   +0 :              -0.00026087742881
                   +1 :               0.00012690952574
                   +2 :               0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :              -0.00005098546629
                   +0 :               0.00013617303020
                   +1 :              -0.00001268342857
                   +2 :              -0.00001846079395
                6p
                   -1 :              -0.00000671037333
                   +0 :              -0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :              -0.00003782192348
                   -2 :               0.00000459382652
                   -1 :              -0.00004417456967
                   +0 :              -0.00011994927883
                   +1 :               0.00001576189199
                   +2 :               0.00007013765147
                   +3 :              -0.00001476894557
             33 vec=     7.146377     -7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :              -0.00003070947413
                   +0 :              -0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :              -0.00002183750112
                   +0 :               0.00026087742881
                   +1 :               0.00012690952574
                   +2 :              -0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :              -0.00005098546629
                   +0 :              -0.00013617303020
                   +1 :              -0.00001268342857
                   +2 :               0.00001846079395
                6p
                   -1 :              -0.00000671037333
                   +0 :               0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :              -0.00003782192348
                   -2 :              -0.00000459382652
                   -1 :              -0.00004417456967
                   +0 :               0.00011994927883
                   +1 :               0.00001576189199
                   +2 :              -0.00007013765147
                   +3 :              -0.00001476894557
             34 vec=     7.146377      7.146377    -13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :               0.00003070947413
                   +0 :              -0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :               0.00002183750112
                   +0 :               0.00026087742881
                   +1 :               0.00012690952574
                   +2 :              -0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :               0.00005098546629
                   +0 :              -0.00013617303020
                   +1 :              -0.00001268342857
                   +2 :               0.00001846079395
                6p
                   -1 :               0.00000671037333
                   +0 :               0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :               0.00003782192348
                   -2 :               0.00000459382652
                   -1 :               0.00004417456967
                   +0 :               0.00011994927883
                   +1 :               0.00001576189199
                   +2 :              -0.00007013765147
                   +3 :              -0.00001476894557
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site Cu(  3)  npairs=  41
              1 vec=     0.000000      0.000000     -4.566642   |vec|=    4.566642
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00154920633673
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.01699948011712
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00423109465749
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.01281094992684
              2 vec=    -7.146377      0.000000     -4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00011919601940
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00033955613524
                   +1 :              -0.00018634064339
                4s
                   +0 :               0.00610130489386
                5s
                   +0 :              -0.00064426574966
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00008437541586
                   +1 :              -0.00276821179246
                   +2 :              -0.00057999411520
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002700670439
                   +1 :              -0.00033398569434
                   +2 :               0.00039242701153
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00292397380679
                   +1 :              -0.00113154699925
              3 vec=     0.000000     -7.146377     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00071247635536
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00113470050757
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00256662905269
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00008152049477
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00015671132452
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00177912972407
              4 vec=     0.000000      7.146377     -4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00071247635536
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00113470050757
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00256662905269
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00008152049477
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00015671132452
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00177912972407
              5 vec=     7.146377      0.000000     -4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00011919601940
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00033955613524
                   +1 :              -0.00018634064339
                4s
                   +0 :              -0.00610130489386
                5s
                   +0 :               0.00064426574966
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00008437541586
                   +1 :              -0.00276821179246
                   +2 :               0.00057999411520
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002700670439
                   +1 :              -0.00033398569434
                   +2 :              -0.00039242701153
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00292397380679
                   +1 :              -0.00113154699925
              6 vec=    -3.573189     -3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :              -0.00067281332221
                   +0 :               0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :               0.00125291215803
                   +0 :              -0.00131766148908
                   +1 :               0.00230246937535
                   +2 :               0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :               0.00031915726635
                   +0 :              -0.00002812420616
                   +1 :               0.00017223500809
                   +2 :               0.00029019768710
                4p
                   -1 :               0.00211095571023
                   +0 :               0.00016296441063
                   +1 :               0.00107918021691
              7 vec=    -3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :               0.00067281332221
                   +0 :               0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :              -0.00125291215803
                   +0 :              -0.00131766148908
                   +1 :               0.00230246937535
                   +2 :               0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :              -0.00031915726635
                   +0 :              -0.00002812420616
                   +1 :               0.00017223500809
                   +2 :               0.00029019768710
                4p
                   -1 :              -0.00211095571023
                   +0 :               0.00016296441063
                   +1 :               0.00107918021691
              8 vec=     3.573189     -3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :               0.00067281332221
                   +0 :              -0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :              -0.00125291215803
                   +0 :               0.00131766148908
                   +1 :               0.00230246937535
                   +2 :              -0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :              -0.00031915726635
                   +0 :               0.00002812420616
                   +1 :               0.00017223500809
                   +2 :              -0.00029019768710
                4p
                   -1 :              -0.00211095571023
                   +0 :              -0.00016296441063
                   +1 :               0.00107918021691
              9 vec=     3.573189      3.573189      7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :              -0.00067281332221
                   +0 :              -0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :               0.00125291215803
                   +0 :               0.00131766148908
                   +1 :               0.00230246937535
                   +2 :              -0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :               0.00031915726635
                   +0 :               0.00002812420616
                   +1 :               0.00017223500809
                   +2 :              -0.00029019768710
                4p
                   -1 :               0.00211095571023
                   +0 :              -0.00016296441063
                   +1 :               0.00107918021691
             10 vec=    -7.146377     -7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :               0.00019887762691
                   +0 :               0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :               0.00240082574909
                   +0 :               0.00100526363471
                   +1 :               0.00107440617868
                   +2 :              -0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :               0.00019642538137
                   +0 :               0.00036748391435
                   +1 :               0.00046621922818
                   +2 :               0.00021169365812
                4p
                   -1 :              -0.00051664534082
                   +0 :              -0.00136244125457
                   +1 :              -0.00128580211683
             11 vec=    -7.146377      7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :              -0.00019887762691
                   +0 :               0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :              -0.00240082574909
                   +0 :               0.00100526363471
                   +1 :               0.00107440617868
                   +2 :              -0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :              -0.00019642538137
                   +0 :               0.00036748391435
                   +1 :               0.00046621922818
                   +2 :               0.00021169365812
                4p
                   -1 :               0.00051664534082
                   +0 :              -0.00136244125457
                   +1 :              -0.00128580211683
             12 vec=     7.146377     -7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :              -0.00019887762691
                   +0 :              -0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :              -0.00240082574909
                   +0 :              -0.00100526363471
                   +1 :               0.00107440617868
                   +2 :               0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :              -0.00019642538137
                   +0 :              -0.00036748391435
                   +1 :               0.00046621922818
                   +2 :              -0.00021169365812
                4p
                   -1 :               0.00051664534082
                   +0 :               0.00136244125457
                   +1 :              -0.00128580211683
             13 vec=     7.146377      7.146377     -4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :               0.00019887762691
                   +0 :              -0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :               0.00240082574909
                   +0 :              -0.00100526363471
                   +1 :               0.00107440617868
                   +2 :               0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :               0.00019642538137
                   +0 :              -0.00036748391435
                   +1 :               0.00046621922818
                   +2 :              -0.00021169365812
                4p
                   -1 :              -0.00051664534082
                   +0 :               0.00136244125457
                   +1 :              -0.00128580211683
             14 vec=   -10.719566     -3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :               0.00012442379058
                   +0 :              -0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :              -0.00004742787416
                   +0 :               0.00006758510071
                   +1 :              -0.00016897529233
                   +2 :              -0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :              -0.00003447286804
                   +0 :              -0.00002282982624
                   +1 :               0.00019328053161
                   +2 :              -0.00011411323106
                4p
                   -1 :              -0.00017108780475
                   +0 :               0.00006556867971
                   +1 :              -0.00005767529106
             15 vec=   -10.719566      3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :              -0.00012442379058
                   +0 :              -0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :               0.00004742787416
                   +0 :               0.00006758510071
                   +1 :              -0.00016897529233
                   +2 :              -0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :               0.00003447286804
                   +0 :              -0.00002282982624
                   +1 :               0.00019328053161
                   +2 :              -0.00011411323106
                4p
                   -1 :               0.00017108780475
                   +0 :               0.00006556867971
                   +1 :              -0.00005767529106
             16 vec=    -3.573189    -10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :              -0.00020085219989
                   +0 :              -0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :               0.00022220762080
                   +0 :              -0.00009747487988
                   +1 :               0.00000922066118
                   +2 :              -0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :               0.00003306842578
                   +0 :               0.00000513199327
                   +1 :              -0.00000077908277
                   +2 :               0.00003579849061
                4p
                   -1 :               0.00030512505669
                   +0 :              -0.00015521152237
                   +1 :               0.00006889036901
             17 vec=    -3.573189     10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :               0.00020085219989
                   +0 :              -0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :              -0.00022220762080
                   +0 :              -0.00009747487988
                   +1 :               0.00000922066118
                   +2 :              -0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :              -0.00003306842578
                   +0 :               0.00000513199327
                   +1 :              -0.00000077908277
                   +2 :               0.00003579849061
                4p
                   -1 :              -0.00030512505669
                   +0 :              -0.00015521152237
                   +1 :               0.00006889036901
             18 vec=     3.573189    -10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :               0.00020085219989
                   +0 :               0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :              -0.00022220762080
                   +0 :               0.00009747487988
                   +1 :               0.00000922066118
                   +2 :               0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :              -0.00003306842578
                   +0 :              -0.00000513199327
                   +1 :              -0.00000077908277
                   +2 :              -0.00003579849061
                4p
                   -1 :              -0.00030512505669
                   +0 :               0.00015521152237
                   +1 :               0.00006889036901
             19 vec=     3.573189     10.719566      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :              -0.00020085219989
                   +0 :               0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :               0.00022220762080
                   +0 :               0.00009747487988
                   +1 :               0.00000922066118
                   +2 :               0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :               0.00003306842578
                   +0 :              -0.00000513199327
                   +1 :              -0.00000077908277
                   +2 :              -0.00003579849061
                4p
                   -1 :               0.00030512505669
                   +0 :               0.00015521152237
                   +1 :               0.00006889036901
             20 vec=    10.719566     -3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :              -0.00012442379058
                   +0 :               0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :               0.00004742787416
                   +0 :              -0.00006758510071
                   +1 :              -0.00016897529233
                   +2 :               0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :               0.00003447286804
                   +0 :               0.00002282982624
                   +1 :               0.00019328053161
                   +2 :               0.00011411323106
                4p
                   -1 :               0.00017108780475
                   +0 :              -0.00006556867971
                   +1 :              -0.00005767529106
             21 vec=    10.719566      3.573189      7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :               0.00012442379058
                   +0 :               0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :              -0.00004742787416
                   +0 :              -0.00006758510071
                   +1 :              -0.00016897529233
                   +2 :               0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :              -0.00003447286804
                   +0 :               0.00002282982624
                   +1 :               0.00019328053161
                   +2 :               0.00011411323106
                4p
                   -1 :              -0.00017108780475
                   +0 :              -0.00006556867971
                   +1 :              -0.00005767529106
             22 vec=   -14.292755      0.000000     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00014225101179
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00005462838298
                   +1 :              -0.00015707250399
                4s
                   +0 :               0.00000399436066
                5s
                   +0 :               0.00009075974509
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00005104766117
                   +1 :               0.00012182963132
                   +2 :               0.00038709247160
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002860307136
                   +1 :              -0.00001949253423
                   +2 :              -0.00002678994363
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00018193858482
                   +1 :               0.00010129675204
             23 vec=     0.000000    -14.292755     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001128356712
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00011220193478
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003574631421
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00005482291506
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001833636026
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00021960517224
             24 vec=     0.000000     14.292755     -4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001128356712
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00011220193478
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003574631421
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00005482291506
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001833636026
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00021960517224
             25 vec=    14.292755      0.000000     -4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00014225101179
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00005462838298
                   +1 :              -0.00015707250399
                4s
                   +0 :              -0.00000399436066
                5s
                   +0 :              -0.00009075974509
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00005104766117
                   +1 :               0.00012182963132
                   +2 :              -0.00038709247160
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002860307136
                   +1 :              -0.00001949253423
                   +2 :               0.00002678994363
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00018193858482
                   +1 :               0.00010129675204
             26 vec=   -14.292755     -7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :               0.00001801290427
                   +0 :               0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :               0.00009569011579
                   +0 :               0.00003192436203
                   +1 :              -0.00001833886434
                   +2 :              -0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :               0.00001171377959
                   +0 :               0.00001475269599
                   +1 :              -0.00001337244268
                   +2 :              -0.00002912522546
                4p
                   -1 :              -0.00004888607409
                   +0 :              -0.00011010285769
                   +1 :              -0.00001548322505
             27 vec=   -14.292755      7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :              -0.00001801290427
                   +0 :               0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :              -0.00009569011579
                   +0 :               0.00003192436203
                   +1 :              -0.00001833886434
                   +2 :              -0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :              -0.00001171377959
                   +0 :               0.00001475269599
                   +1 :              -0.00001337244268
                   +2 :              -0.00002912522546
                4p
                   -1 :               0.00004888607409
                   +0 :              -0.00011010285769
                   +1 :              -0.00001548322505
             28 vec=    -7.146377    -14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :               0.00000332716300
                   +0 :               0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :               0.00001088249042
                   +0 :              -0.00000826667793
                   +1 :               0.00003875055170
                   +2 :              -0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :               0.00003257296674
                   +0 :              -0.00001958990877
                   +1 :               0.00001790036825
                   +2 :              -0.00001681378650
                4p
                   -1 :              -0.00005851222729
                   +0 :              -0.00002574616713
                   +1 :               0.00006567030106
             29 vec=    -7.146377     14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :              -0.00000332716300
                   +0 :               0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :              -0.00001088249042
                   +0 :              -0.00000826667793
                   +1 :               0.00003875055170
                   +2 :              -0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :              -0.00003257296674
                   +0 :              -0.00001958990877
                   +1 :               0.00001790036825
                   +2 :              -0.00001681378650
                4p
                   -1 :               0.00005851222729
                   +0 :              -0.00002574616713
                   +1 :               0.00006567030106
             30 vec=     7.146377    -14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :              -0.00000332716300
                   +0 :              -0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :              -0.00001088249042
                   +0 :               0.00000826667793
                   +1 :               0.00003875055170
                   +2 :               0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :              -0.00003257296674
                   +0 :               0.00001958990877
                   +1 :               0.00001790036825
                   +2 :               0.00001681378650
                4p
                   -1 :               0.00005851222729
                   +0 :               0.00002574616713
                   +1 :               0.00006567030106
             31 vec=     7.146377     14.292755     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :               0.00000332716300
                   +0 :              -0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :               0.00001088249042
                   +0 :               0.00000826667793
                   +1 :               0.00003875055170
                   +2 :               0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :               0.00003257296674
                   +0 :               0.00001958990877
                   +1 :               0.00001790036825
                   +2 :               0.00001681378650
                4p
                   -1 :              -0.00005851222729
                   +0 :               0.00002574616713
                   +1 :               0.00006567030106
             32 vec=    14.292755     -7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :              -0.00001801290427
                   +0 :              -0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :              -0.00009569011579
                   +0 :              -0.00003192436203
                   +1 :              -0.00001833886434
                   +2 :               0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :              -0.00001171377959
                   +0 :              -0.00001475269599
                   +1 :              -0.00001337244268
                   +2 :               0.00002912522546
                4p
                   -1 :               0.00004888607409
                   +0 :               0.00011010285769
                   +1 :              -0.00001548322505
             33 vec=    14.292755      7.146377     -4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :               0.00001801290427
                   +0 :              -0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :               0.00009569011579
                   +0 :              -0.00003192436203
                   +1 :              -0.00001833886434
                   +2 :               0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :               0.00001171377959
                   +0 :              -0.00001475269599
                   +1 :              -0.00001337244268
                   +2 :               0.00002912522546
                4p
                   -1 :              -0.00004888607409
                   +0 :               0.00011010285769
                   +1 :              -0.00001548322505
             34 vec=   -10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :               0.00005162706053
                   +0 :              -0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :              -0.00005778624528
                   +0 :               0.00009567853838
                   +1 :              -0.00008200054857
                   +2 :               0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :               0.00000487158575
                   +0 :               0.00003433741397
                   +1 :               0.00002147941039
                   +2 :              -0.00000445427450
                4p
                   -1 :               0.00001771875092
                   +0 :               0.00018033655188
                   +1 :              -0.00001954482637
             35 vec=   -10.719566     10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :              -0.00005162706053
                   +0 :              -0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :               0.00005778624528
                   +0 :               0.00009567853838
                   +1 :              -0.00008200054857
                   +2 :               0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :              -0.00000487158575
                   +0 :               0.00003433741397
                   +1 :               0.00002147941039
                   +2 :              -0.00000445427450
                4p
                   -1 :              -0.00001771875092
                   +0 :               0.00018033655188
                   +1 :              -0.00001954482637
             36 vec=    10.719566    -10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :              -0.00005162706053
                   +0 :               0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :               0.00005778624528
                   +0 :              -0.00009567853838
                   +1 :              -0.00008200054857
                   +2 :              -0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :              -0.00000487158575
                   +0 :              -0.00003433741397
                   +1 :               0.00002147941039
                   +2 :               0.00000445427450
                4p
                   -1 :              -0.00001771875092
                   +0 :              -0.00018033655188
                   +1 :              -0.00001954482637
             37 vec=    10.719566     10.719566      7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :               0.00005162706053
                   +0 :               0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :              -0.00005778624528
                   +0 :              -0.00009567853838
                   +1 :              -0.00008200054857
                   +2 :              -0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :               0.00000487158575
                   +0 :              -0.00003433741397
                   +1 :               0.00002147941039
                   +2 :               0.00000445427450
                4p
                   -1 :               0.00001771875092
                   +0 :              -0.00018033655188
                   +1 :              -0.00001954482637
             38 vec=    -3.573189     -3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :               0.00001461872234
                   +0 :               0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :               0.00004272982252
                   +0 :              -0.00003710711488
                   +1 :               0.00002775880446
                   +2 :              -0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :               0.00000966681414
                   +0 :              -0.00000516799713
                   +1 :               0.00000313788009
                   +2 :              -0.00000372104151
                4p
                   -1 :              -0.00003555957241
                   +0 :              -0.00004703958297
                   +1 :              -0.00000092198055
             39 vec=    -3.573189      3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :              -0.00001461872234
                   +0 :               0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :              -0.00004272982252
                   +0 :              -0.00003710711488
                   +1 :               0.00002775880446
                   +2 :              -0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :              -0.00000966681414
                   +0 :              -0.00000516799713
                   +1 :               0.00000313788009
                   +2 :              -0.00000372104151
                4p
                   -1 :               0.00003555957241
                   +0 :              -0.00004703958297
                   +1 :              -0.00000092198055
             40 vec=     3.573189     -3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :              -0.00001461872234
                   +0 :              -0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :              -0.00004272982252
                   +0 :               0.00003710711488
                   +1 :               0.00002775880446
                   +2 :               0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :              -0.00000966681414
                   +0 :               0.00000516799713
                   +1 :               0.00000313788009
                   +2 :               0.00000372104151
                4p
                   -1 :               0.00003555957241
                   +0 :               0.00004703958297
                   +1 :              -0.00000092198055
             41 vec=     3.573189      3.573189    -17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :               0.00001461872234
                   +0 :              -0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :               0.00004272982252
                   +0 :               0.00003710711488
                   +1 :               0.00002775880446
                   +2 :               0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :               0.00000966681414
                   +0 :               0.00000516799713
                   +1 :               0.00000313788009
                   +2 :               0.00000372104151
                4p
                   -1 :              -0.00003555957241
                   +0 :               0.00004703958297
                   +1 :              -0.00000092198055
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site O (  4)  npairs=  34
              1 vec=     0.000000     -3.573189     -4.566642   |vec|=    5.798439
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00620537697724
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00006630591043
                3d
                   -2 :               0.00003499719819
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00037776972759
                   +2 :              -0.00000000000000
              2 vec=     0.000000      3.573189     -4.566642   |vec|=    5.798439
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00620537697724
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006630591043
                3d
                   -2 :              -0.00003499719819
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00037776972759
                   +2 :               0.00000000000000
              3 vec=    -3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00049131754124
                2s
                   +0 :               0.01543436570516
                3s
                   +0 :              -0.00375572504222
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.01496992927231
                   +1 :              -0.01275900596672
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00513878456585
                   +1 :               0.00649454124432
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00023349789824
                   +1 :               0.00047605724739
                   +2 :              -0.00031532922889
              4 vec=     3.573189      0.000000      7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00049131754124
                2s
                   +0 :              -0.01543436570516
                3s
                   +0 :               0.00375572504222
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.01496992927231
                   +1 :              -0.01275900596672
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00513878456585
                   +1 :               0.00649454124432
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00023349789824
                   +1 :               0.00047605724739
                   +2 :               0.00031532922889
              5 vec=    -7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :              -0.00204196705217
                   +0 :               0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :              -0.00045006021981
                   +0 :               0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :               0.00015855343359
                   -1 :               0.00022378565128
                   +0 :              -0.00023256497942
                   +1 :              -0.00024147724960
                   +2 :               0.00005030750934
              6 vec=    -7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :               0.00204196705217
                   +0 :               0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :               0.00045006021981
                   +0 :               0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :              -0.00015855343359
                   -1 :              -0.00022378565128
                   +0 :              -0.00023256497942
                   +1 :              -0.00024147724960
                   +2 :               0.00005030750934
              7 vec=     7.146377     -3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :               0.00204196705217
                   +0 :              -0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :               0.00045006021981
                   +0 :              -0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :               0.00015855343359
                   -1 :              -0.00022378565128
                   +0 :               0.00023256497942
                   +1 :              -0.00024147724960
                   +2 :              -0.00005030750934
              8 vec=     7.146377      3.573189     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :              -0.00204196705217
                   +0 :              -0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :              -0.00045006021981
                   +0 :              -0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :              -0.00015855343359
                   -1 :               0.00022378565128
                   +0 :               0.00023256497942
                   +1 :              -0.00024147724960
                   +2 :              -0.00005030750934
              9 vec=    -3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :               0.00262526179364
                   +0 :              -0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :              -0.00133232808187
                   +0 :              -0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :              -0.00001976313620
                   -1 :               0.00004224765630
                   +0 :              -0.00005356738861
                   +1 :               0.00006123831790
                   +2 :               0.00000439015935
             10 vec=    -3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :              -0.00262526179364
                   +0 :              -0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :               0.00133232808187
                   +0 :              -0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :               0.00001976313620
                   -1 :              -0.00004224765630
                   +0 :              -0.00005356738861
                   +1 :               0.00006123831790
                   +2 :               0.00000439015935
             11 vec=     3.573189     -7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :              -0.00262526179364
                   +0 :               0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :               0.00133232808187
                   +0 :               0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :              -0.00001976313620
                   -1 :              -0.00004224765630
                   +0 :               0.00005356738861
                   +1 :               0.00006123831790
                   +2 :              -0.00000439015935
             12 vec=     3.573189      7.146377      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :               0.00262526179364
                   +0 :               0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :              -0.00133232808187
                   +0 :               0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :               0.00001976313620
                   -1 :               0.00004224765630
                   +0 :               0.00005356738861
                   +1 :               0.00006123831790
                   +2 :              -0.00000439015935
             13 vec=     0.000000    -10.719566     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00137336590141
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00045283781187
                3d
                   -2 :              -0.00000059055594
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00009335496487
                   +2 :              -0.00000000000000
             14 vec=     0.000000     10.719566     -4.566642   |vec|=   11.651751
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00137336590141
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00045283781187
                3d
                   -2 :               0.00000059055594
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00009335496487
                   +2 :               0.00000000000000
             15 vec=   -10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00004631380692
                2s
                   +0 :              -0.00149947513671
                3s
                   +0 :               0.00146603844224
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00250211773312
                   +1 :               0.00300613810221
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00235002135198
                   +1 :              -0.00265643390020
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00008841384282
                   +1 :              -0.00045357245360
                   +2 :               0.00020196175292
             16 vec=    10.719566      0.000000      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00004631380692
                2s
                   +0 :               0.00149947513671
                3s
                   +0 :              -0.00146603844224
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00250211773312
                   +1 :               0.00300613810221
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00235002135198
                   +1 :              -0.00265643390020
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00008841384282
                   +1 :              -0.00045357245360
                   +2 :              -0.00020196175292
             17 vec=    -7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :              -0.00012730230252
                   +0 :               0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :               0.00027161907082
                   +0 :              -0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :               0.00004069290485
                   -1 :               0.00005239455742
                   +0 :              -0.00002164727194
                   +1 :               0.00004055083662
                   +2 :              -0.00001623312766
             18 vec=    -7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :               0.00012730230252
                   +0 :               0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :              -0.00027161907082
                   +0 :              -0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :              -0.00004069290485
                   -1 :              -0.00005239455742
                   +0 :              -0.00002164727194
                   +1 :               0.00004055083662
                   +2 :              -0.00001623312766
             19 vec=     7.146377    -10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :               0.00012730230252
                   +0 :              -0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :              -0.00027161907082
                   +0 :               0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :               0.00004069290485
                   -1 :              -0.00005239455742
                   +0 :               0.00002164727194
                   +1 :               0.00004055083662
                   +2 :               0.00001623312766
             20 vec=     7.146377     10.719566     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :              -0.00012730230252
                   +0 :              -0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :               0.00027161907082
                   +0 :               0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :              -0.00004069290485
                   -1 :               0.00005239455742
                   +0 :               0.00002164727194
                   +1 :               0.00004055083662
                   +2 :               0.00001623312766
             21 vec=   -10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :              -0.00053565094372
                   +0 :              -0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :               0.00017463507581
                   +0 :               0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :               0.00001920190065
                   -1 :              -0.00000398453574
                   +0 :               0.00001256045053
                   +1 :              -0.00005985846111
                   +2 :               0.00001965855691
             22 vec=   -10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :               0.00053565094372
                   +0 :              -0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :              -0.00017463507581
                   +0 :               0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :              -0.00001920190065
                   -1 :               0.00000398453574
                   +0 :               0.00001256045053
                   +1 :              -0.00005985846111
                   +2 :               0.00001965855691
             23 vec=    10.719566     -7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :               0.00053565094372
                   +0 :               0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :              -0.00017463507581
                   +0 :              -0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :               0.00001920190065
                   -1 :               0.00000398453574
                   +0 :              -0.00001256045053
                   +1 :              -0.00005985846111
                   +2 :              -0.00001965855691
             24 vec=    10.719566      7.146377      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :              -0.00053565094372
                   +0 :               0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :               0.00017463507581
                   +0 :              -0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :              -0.00001920190065
                   -1 :              -0.00000398453574
                   +0 :              -0.00001256045053
                   +1 :              -0.00005985846111
                   +2 :              -0.00001965855691
             25 vec=   -14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :               0.00024239224460
                   +0 :               0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :              -0.00002090461819
                   +0 :              -0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :              -0.00000196109427
                   -1 :              -0.00000311786539
                   +0 :               0.00002131352744
                   +1 :               0.00003622466942
                   +2 :               0.00001680306033
             26 vec=   -14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :              -0.00024239224460
                   +0 :               0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :               0.00002090461819
                   +0 :              -0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :               0.00000196109427
                   -1 :               0.00000311786539
                   +0 :               0.00002131352744
                   +1 :               0.00003622466942
                   +2 :               0.00001680306033
             27 vec=    14.292755     -3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :              -0.00024239224460
                   +0 :              -0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :               0.00002090461819
                   +0 :               0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :              -0.00000196109427
                   -1 :               0.00000311786539
                   +0 :              -0.00002131352744
                   +1 :               0.00003622466942
                   +2 :              -0.00001680306033
             28 vec=    14.292755      3.573189     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :               0.00024239224460
                   +0 :              -0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :              -0.00002090461819
                   +0 :               0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :               0.00000196109427
                   -1 :              -0.00000311786539
                   +0 :              -0.00002131352744
                   +1 :               0.00003622466942
                   +2 :              -0.00001680306033
             29 vec=    -3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :               0.00017733438523
                   +0 :               0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :              -0.00011491072231
                   +0 :               0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :               0.00000101880719
                   -1 :              -0.00000179727916
                   +0 :               0.00000116988171
                   +1 :               0.00000362974287
                   +2 :              -0.00000342350985
             30 vec=    -3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :              -0.00017733438523
                   +0 :               0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :               0.00011491072231
                   +0 :               0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :              -0.00000101880719
                   -1 :               0.00000179727916
                   +0 :               0.00000116988171
                   +1 :               0.00000362974287
                   +2 :              -0.00000342350985
             31 vec=     3.573189    -14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :              -0.00017733438523
                   +0 :              -0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :               0.00011491072231
                   +0 :              -0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :               0.00000101880719
                   -1 :               0.00000179727916
                   +0 :              -0.00000116988171
                   +1 :               0.00000362974287
                   +2 :               0.00000342350985
             32 vec=     3.573189     14.292755      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :               0.00017733438523
                   +0 :              -0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :              -0.00011491072231
                   +0 :              -0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :              -0.00000101880719
                   -1 :              -0.00000179727916
                   +0 :              -0.00000116988171
                   +1 :               0.00000362974287
                   +2 :               0.00000342350985
             33 vec=    -3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002850852446
                2s
                   +0 :              -0.00036362627643
                3s
                   +0 :               0.00014113516485
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00023663508609
                   +1 :              -0.00006645599236
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00011148625366
                   +1 :              -0.00003601807712
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000287101926
                   +1 :               0.00000806752038
                   +2 :               0.00000199783724
             34 vec=     3.573189      0.000000    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002850852446
                2s
                   +0 :               0.00036362627643
                3s
                   +0 :              -0.00014113516485
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00023663508609
                   +1 :              -0.00006645599236
                3p
                   +0 :               0.00011148625366
                   +1 :              -0.00003601807712
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000287101926
                   +1 :               0.00000806752038
                   +2 :              -0.00000199783724
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site O (  5)  npairs=  34
              1 vec=    -3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00093071058077
                2s
                   +0 :              -0.01701167207723
                3s
                   +0 :               0.00279896943208
                2p
                   -1 :               0.00000000000000
                   +0 :               0.01379435243312
                   +1 :               0.01373950483642
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00181694106225
                   +1 :              -0.00115494900623
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00114406835784
                   +1 :              -0.00091390587105
                   +2 :              -0.00052865716028
              2 vec=     3.573189      0.000000     -4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00093071058077
                2s
                   +0 :               0.01701167207723
                3s
                   +0 :              -0.00279896943208
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.01379435243312
                   +1 :               0.01373950483642
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00181694106225
                   +1 :              -0.00115494900623
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00114406835784
                   +1 :              -0.00091390587105
                   +2 :               0.00052865716028
              3 vec=     0.000000     -3.573189      7.951565   |vec|=    8.717515
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00357699209751
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00012931208798
                3d
                   -2 :               0.00000211070884
                   -1 :              -0.00000000000000
                   +1 :               0.00004182238433
                   +2 :               0.00000000000000
              4 vec=     0.000000      3.573189      7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :               0.00357699209751
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00012931208798
                3d
                   -2 :              -0.00000211070884
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004182238433
                   +2 :               0.00000000000000
              5 vec=    -3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :               0.00796381283107
                   +0 :               0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :              -0.00317502748974
                   +0 :              -0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :               0.00012920790247
                   -1 :               0.00026722615049
                   +0 :              -0.00016792428209
                   +1 :               0.00014585919591
                   +2 :              -0.00004025115825
              6 vec=    -3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :              -0.00796381283107
                   +0 :               0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :               0.00317502748974
                   +0 :              -0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :              -0.00012920790247
                   -1 :              -0.00026722615049
                   +0 :              -0.00016792428209
                   +1 :               0.00014585919591
                   +2 :              -0.00004025115825
              7 vec=     3.573189     -7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :              -0.00796381283107
                   +0 :              -0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :               0.00317502748974
                   +0 :               0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :               0.00012920790247
                   -1 :              -0.00026722615049
                   +0 :               0.00016792428209
                   +1 :               0.00014585919591
                   +2 :               0.00004025115825
              8 vec=     3.573189      7.146377     -4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :               0.00796381283107
                   +0 :              -0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :              -0.00317502748974
                   +0 :               0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :              -0.00012920790247
                   -1 :               0.00026722615049
                   +0 :               0.00016792428209
                   +1 :               0.00014585919591
                   +2 :               0.00004025115825
              9 vec=    -7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :              -0.00076807959615
                   +0 :              -0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :               0.00015879148776
                   +0 :               0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :              -0.00006976186312
                   -1 :               0.00002710564846
                   +0 :              -0.00008138307079
                   +1 :               0.00012495331439
                   +2 :              -0.00010710113360
             10 vec=    -7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :               0.00076807959615
                   +0 :              -0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :              -0.00015879148776
                   +0 :               0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :               0.00006976186312
                   -1 :              -0.00002710564846
                   +0 :              -0.00008138307079
                   +1 :               0.00012495331439
                   +2 :              -0.00010710113360
             11 vec=     7.146377     -3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :               0.00076807959615
                   +0 :               0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :              -0.00015879148776
                   +0 :              -0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :              -0.00006976186312
                   -1 :              -0.00002710564846
                   +0 :               0.00008138307079
                   +1 :               0.00012495331439
                   +2 :               0.00010710113360
             12 vec=     7.146377      3.573189      7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :              -0.00076807959615
                   +0 :               0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :               0.00015879148776
                   +0 :              -0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :               0.00006976186312
                   -1 :               0.00002710564846
                   +0 :               0.00008138307079
                   +1 :               0.00012495331439
                   +2 :               0.00010710113360
             13 vec=   -10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00011672688634
                2s
                   +0 :              -0.00112071275944
                3s
                   +0 :               0.00017188173409
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00004331150449
                   +1 :               0.00235957554586
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00016098126458
                   +1 :              -0.00070211656570
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004408155268
                   +1 :               0.00002919245033
                   +2 :              -0.00000063250030
             14 vec=    10.719566      0.000000     -4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00011672688634
                2s
                   +0 :               0.00112071275944
                3s
                   +0 :              -0.00017188173409
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00004331150449
                   +1 :               0.00235957554586
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00016098126458
                   +1 :              -0.00070211656570
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004408155268
                   +1 :               0.00002919245033
                   +2 :               0.00000063250030
             15 vec=     0.000000    -10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00026520618869
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00011866445553
                3d
                   -2 :              -0.00000540664290
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000162387991
                   +2 :              -0.00000000000000
             16 vec=     0.000000     10.719566      7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00026520618869
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011866445553
                3d
                   -2 :               0.00000540664290
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000162387991
                   +2 :              -0.00000000000000
             17 vec=   -10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :               0.00033979474408
                   +0 :               0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :              -0.00017646046578
                   +0 :              -0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :               0.00000826834008
                   -1 :               0.00001077973966
                   +0 :               0.00001887715854
                   +1 :               0.00000736901790
                   +2 :              -0.00001932751174
             18 vec=   -10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :              -0.00033979474408
                   +0 :               0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :               0.00017646046578
                   +0 :              -0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :              -0.00000826834008
                   -1 :              -0.00001077973966
                   +0 :               0.00001887715854
                   +1 :               0.00000736901790
                   +2 :              -0.00001932751174
             19 vec=    10.719566     -7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :              -0.00033979474408
                   +0 :              -0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :               0.00017646046578
                   +0 :               0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :               0.00000826834008
                   -1 :              -0.00001077973966
                   +0 :              -0.00001887715854
                   +1 :               0.00000736901790
                   +2 :               0.00001932751174
             20 vec=    10.719566      7.146377     -4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :               0.00033979474408
                   +0 :              -0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :              -0.00017646046578
                   +0 :               0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :              -0.00000826834008
                   -1 :               0.00001077973966
                   +0 :              -0.00001887715854
                   +1 :               0.00000736901790
                   +2 :               0.00001932751174
             21 vec=    -7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :               0.00040695879192
                   +0 :              -0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :              -0.00010223816293
                   +0 :               0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :              -0.00000076369417
                   -1 :              -0.00001377500994
                   +0 :               0.00000432867283
                   +1 :               0.00000438440998
                   +2 :              -0.00001844808369
             22 vec=    -7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :              -0.00040695879192
                   +0 :              -0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :               0.00010223816293
                   +0 :               0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :               0.00000076369417
                   -1 :               0.00001377500994
                   +0 :               0.00000432867283
                   +1 :               0.00000438440998
                   +2 :              -0.00001844808369
             23 vec=     7.146377    -10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :              -0.00040695879192
                   +0 :               0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :               0.00010223816293
                   +0 :              -0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :              -0.00000076369417
                   -1 :               0.00001377500994
                   +0 :              -0.00000432867283
                   +1 :               0.00000438440998
                   +2 :               0.00001844808369
             24 vec=     7.146377     10.719566      7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :               0.00040695879192
                   +0 :               0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :              -0.00010223816293
                   +0 :              -0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :               0.00000076369417
                   -1 :              -0.00001377500994
                   +0 :              -0.00000432867283
                   +1 :               0.00000438440998
                   +2 :               0.00001844808369
             25 vec=    -3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :              -0.00012957843139
                   +0 :               0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :               0.00015870897434
                   +0 :              -0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :               0.00001085160594
                   -1 :              -0.00001069365051
                   +0 :               0.00002450514332
                   +1 :               0.00000286685734
                   +2 :               0.00001702155660
             26 vec=    -3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :               0.00012957843139
                   +0 :               0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :              -0.00015870897434
                   +0 :              -0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :              -0.00001085160594
                   -1 :               0.00001069365051
                   +0 :               0.00002450514332
                   +1 :               0.00000286685734
                   +2 :               0.00001702155660
             27 vec=     3.573189    -14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :               0.00012957843139
                   +0 :              -0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :              -0.00015870897434
                   +0 :               0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :               0.00001085160594
                   -1 :               0.00001069365051
                   +0 :              -0.00002450514332
                   +1 :               0.00000286685734
                   +2 :              -0.00001702155660
             28 vec=     3.573189     14.292755     -4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :              -0.00012957843139
                   +0 :              -0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :               0.00015870897434
                   +0 :               0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :              -0.00001085160594
                   -1 :              -0.00001069365051
                   +0 :              -0.00002450514332
                   +1 :               0.00000286685734
                   +2 :              -0.00001702155660
             29 vec=   -14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :               0.00008861802738
                   +0 :              -0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :              -0.00003455919217
                   +0 :               0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :               0.00002226969539
                   -1 :              -0.00002119981831
                   +0 :              -0.00002317475300
                   +1 :              -0.00001589972659
                   +2 :               0.00000944760039
             30 vec=   -14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :              -0.00008861802738
                   +0 :              -0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :               0.00003455919217
                   +0 :               0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :              -0.00002226969539
                   -1 :               0.00002119981831
                   +0 :              -0.00002317475300
                   +1 :              -0.00001589972659
                   +2 :               0.00000944760039
             31 vec=    14.292755     -3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :              -0.00008861802738
                   +0 :               0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :               0.00003455919217
                   +0 :              -0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :               0.00002226969539
                   -1 :               0.00002119981831
                   +0 :               0.00002317475300
                   +1 :              -0.00001589972659
                   +2 :              -0.00000944760039
             32 vec=    14.292755      3.573189      7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :               0.00008861802738
                   +0 :               0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :              -0.00003455919217
                   +0 :              -0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :              -0.00002226969539
                   -1 :              -0.00002119981831
                   +0 :               0.00002317475300
                   +1 :              -0.00001589972659
                   +2 :              -0.00000944760039
             33 vec=     0.000000     -3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00013997638516
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00007336307871
                3d
                   -2 :              -0.00000038355124
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00000136238916
                   +2 :               0.00000000000000
             34 vec=     0.000000      3.573189    -17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00013997638516
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00007336307871
                3d
                   -2 :               0.00000038355124
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000136238916
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site O (  6)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.90226630595163
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.08473496410683
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00397415257071
                   +2 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00007419262405
                2s
                   +0 :              -0.00151270210835
                3s
                   +0 :               0.00125461950399
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00444214756564
                   +1 :               0.00976655341709
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00063388193839
                   +1 :              -0.00088364248672
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00031565276228
                   +1 :              -0.00009493102395
                   +2 :              -0.00072904545160
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00138153115105
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00078726834708
                3d
                   -2 :              -0.00020680682663
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00008046800739
                   +2 :               0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00138153115105
                3p
                   -1 :               0.00000000000000
                   +1 :              -0.00078726834708
                3d
                   -2 :               0.00020680682663
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00008046800739
                   +2 :              -0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00007419262405
                2s
                   +0 :               0.00151270210835
                3s
                   +0 :              -0.00125461950399
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00444214756564
                   +1 :               0.00976655341709
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00063388193839
                   +1 :              -0.00088364248672
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00031565276228
                   +1 :              -0.00009493102395
                   +2 :               0.00072904545160
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :               0.00648259033969
                   +0 :              -0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :              -0.00072231956070
                   +0 :               0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :              -0.00023523258788
                   -1 :               0.00016349850541
                   +0 :               0.00005887903441
                   +1 :               0.00019601782366
                   +2 :               0.00001039905780
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :              -0.00648259033969
                   +0 :              -0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :               0.00072231956070
                   +0 :               0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :               0.00023523258788
                   -1 :              -0.00016349850541
                   +0 :               0.00005887903441
                   +1 :               0.00019601782366
                   +2 :               0.00001039905780
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :              -0.00648259033969
                   +0 :               0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :               0.00072231956070
                   +0 :              -0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :              -0.00023523258788
                   -1 :              -0.00016349850541
                   +0 :              -0.00005887903441
                   +1 :               0.00019601782366
                   +2 :              -0.00001039905780
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :               0.00648259033969
                   +0 :               0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :              -0.00072231956070
                   +0 :              -0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :               0.00023523258788
                   -1 :               0.00016349850541
                   +0 :              -0.00005887903441
                   +1 :               0.00019601782366
                   +2 :              -0.00001039905780
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :              -0.00027592359569
                   +0 :              -0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :              -0.00003711007244
                   +0 :               0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :               0.00000314170501
                   -1 :               0.00002784826793
                   +0 :              -0.00003962074189
                   +1 :               0.00001502115464
                   +2 :              -0.00001073569750
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :              -0.00007162606989
                   +0 :              -0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :              -0.00028421488656
                   +0 :               0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :               0.00002546242918
                   -1 :              -0.00004134941765
                   +0 :               0.00006945916030
                   +1 :               0.00002734330251
                   +2 :              -0.00004959419741
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :               0.00027592359569
                   +0 :              -0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :               0.00003711007244
                   +0 :               0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :              -0.00000314170501
                   -1 :              -0.00002784826793
                   +0 :              -0.00003962074189
                   +1 :               0.00001502115464
                   +2 :              -0.00001073569750
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :               0.00007162606989
                   +0 :              -0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :               0.00028421488656
                   +0 :               0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :              -0.00002546242918
                   -1 :               0.00004134941765
                   +0 :               0.00006945916030
                   +1 :               0.00002734330251
                   +2 :              -0.00004959419741
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :               0.00027592359569
                   +0 :               0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :               0.00003711007244
                   +0 :              -0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :               0.00000314170501
                   -1 :              -0.00002784826793
                   +0 :               0.00003962074189
                   +1 :               0.00001502115464
                   +2 :               0.00001073569750
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :               0.00007162606989
                   +0 :               0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :               0.00028421488656
                   +0 :              -0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :               0.00002546242918
                   -1 :               0.00004134941765
                   +0 :              -0.00006945916030
                   +1 :               0.00002734330251
                   +2 :               0.00004959419741
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :              -0.00027592359569
                   +0 :               0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :              -0.00003711007244
                   +0 :              -0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :              -0.00000314170501
                   -1 :               0.00002784826793
                   +0 :               0.00003962074189
                   +1 :               0.00001502115464
                   +2 :               0.00001073569750
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :              -0.00007162606989
                   +0 :               0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :              -0.00028421488656
                   +0 :              -0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :              -0.00002546242918
                   -1 :              -0.00004134941765
                   +0 :              -0.00006945916030
                   +1 :               0.00002734330251
                   +2 :               0.00004959419741
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00001369271442
                2s
                   +0 :              -0.00043293321145
                3s
                   +0 :               0.00026193778737
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00041140668504
                   +1 :               0.00039811659605
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00020233260250
                   +1 :              -0.00031483759056
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00005468256601
                   +1 :              -0.00005042764449
                   +2 :               0.00001589300229
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00035503737660
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00039304152709
                3d
                   -2 :              -0.00008566132040
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00003000610029
                   +2 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00035503737660
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00039304152709
                3d
                   -2 :               0.00008566132040
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003000610029
                   +2 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00001369271442
                2s
                   +0 :               0.00043293321145
                3s
                   +0 :              -0.00026193778737
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00041140668504
                   +1 :               0.00039811659605
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00020233260250
                   +1 :              -0.00031483759056
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005468256601
                   +1 :              -0.00005042764449
                   +2 :              -0.00001589300229
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :               0.00048727220771
                   +0 :              -0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :              -0.00027242560586
                   +0 :               0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :               0.00002938296902
                   -1 :              -0.00001860455789
                   +0 :              -0.00001039338595
                   +1 :              -0.00002728329166
                   +2 :              -0.00000343606807
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :              -0.00048727220771
                   +0 :              -0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :               0.00027242560586
                   +0 :               0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :              -0.00002938296902
                   -1 :               0.00001860455789
                   +0 :              -0.00001039338595
                   +1 :              -0.00002728329166
                   +2 :              -0.00000343606807
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :               0.00025528798472
                   +0 :               0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :               0.00017227333145
                   +0 :              -0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :              -0.00002389997054
                   -1 :               0.00001040226004
                   +0 :               0.00002801667949
                   +1 :               0.00001568154299
                   +2 :               0.00006469158067
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :              -0.00025528798472
                   +0 :               0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :              -0.00017227333145
                   +0 :              -0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :               0.00002389997054
                   -1 :              -0.00001040226004
                   +0 :               0.00002801667949
                   +1 :               0.00001568154299
                   +2 :               0.00006469158067
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :              -0.00025528798472
                   +0 :              -0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :              -0.00017227333145
                   +0 :               0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :              -0.00002389997054
                   -1 :              -0.00001040226004
                   +0 :              -0.00002801667949
                   +1 :               0.00001568154299
                   +2 :              -0.00006469158067
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :               0.00025528798472
                   +0 :              -0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :               0.00017227333145
                   +0 :               0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :               0.00002389997054
                   -1 :               0.00001040226004
                   +0 :              -0.00002801667949
                   +1 :               0.00001568154299
                   +2 :              -0.00006469158067
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :              -0.00048727220771
                   +0 :               0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :               0.00027242560586
                   +0 :              -0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :               0.00002938296902
                   -1 :               0.00001860455789
                   +0 :               0.00001039338595
                   +1 :              -0.00002728329166
                   +2 :               0.00000343606807
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :               0.00048727220771
                   +0 :               0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :              -0.00027242560586
                   +0 :              -0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :              -0.00002938296902
                   -1 :              -0.00001860455789
                   +0 :               0.00001039338595
                   +1 :              -0.00002728329166
                   +2 :               0.00000343606807
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :               0.00003311059095
                   +0 :               0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :              -0.00002511000576
                   +0 :              -0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :              -0.00000256209413
                   -1 :               0.00000013040529
                   +0 :               0.00001833555859
                   +1 :              -0.00001133924429
                   +2 :              -0.00000348228634
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :              -0.00042423564598
                   +0 :               0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :              -0.00003611997011
                   +0 :              -0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :               0.00002610034519
                   -1 :               0.00000215066171
                   +0 :              -0.00003722792544
                   +1 :              -0.00000625708337
                   +2 :              -0.00002229812126
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :              -0.00003311059095
                   +0 :               0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :               0.00002511000576
                   +0 :              -0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :               0.00000256209413
                   -1 :              -0.00000013040529
                   +0 :               0.00001833555859
                   +1 :              -0.00001133924429
                   +2 :              -0.00000348228634
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :               0.00042423564598
                   +0 :               0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :               0.00003611997011
                   +0 :              -0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :              -0.00002610034519
                   -1 :              -0.00000215066171
                   +0 :              -0.00003722792544
                   +1 :              -0.00000625708337
                   +2 :              -0.00002229812126
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :              -0.00037812147524
                   +0 :               0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :              -0.00011023482821
                   +0 :               0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :               0.00000318255968
                   -1 :               0.00005158102906
                   +0 :              -0.00003212931727
                   +1 :               0.00000253166835
                   +2 :              -0.00000441920668
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :               0.00014831784661
                   +0 :              -0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :              -0.00016614673294
                   +0 :               0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :               0.00000844116857
                   -1 :              -0.00000538258756
                   +0 :              -0.00001621405999
                   +1 :              -0.00000419272992
                   +2 :              -0.00000288750342
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :               0.00037812147524
                   +0 :               0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :               0.00011023482821
                   +0 :               0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :              -0.00000318255968
                   -1 :              -0.00005158102906
                   +0 :              -0.00003212931727
                   +1 :               0.00000253166835
                   +2 :              -0.00000441920668
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :              -0.00014831784661
                   +0 :              -0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :               0.00016614673294
                   +0 :               0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :              -0.00000844116857
                   -1 :               0.00000538258756
                   +0 :              -0.00001621405999
                   +1 :              -0.00000419272992
                   +2 :              -0.00000288750342
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :               0.00037812147524
                   +0 :              -0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :               0.00011023482821
                   +0 :              -0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :               0.00000318255968
                   -1 :              -0.00005158102906
                   +0 :               0.00003212931727
                   +1 :               0.00000253166835
                   +2 :               0.00000441920668
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :              -0.00014831784661
                   +0 :               0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :               0.00016614673294
                   +0 :              -0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :               0.00000844116857
                   -1 :               0.00000538258756
                   +0 :               0.00001621405999
                   +1 :              -0.00000419272992
                   +2 :               0.00000288750342
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :              -0.00037812147524
                   +0 :              -0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :              -0.00011023482821
                   +0 :              -0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :              -0.00000318255968
                   -1 :               0.00005158102906
                   +0 :               0.00003212931727
                   +1 :               0.00000253166835
                   +2 :               0.00000441920668
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :               0.00014831784661
                   +0 :               0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :              -0.00016614673294
                   +0 :              -0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :              -0.00000844116857
                   -1 :              -0.00000538258756
                   +0 :               0.00001621405999
                   +1 :              -0.00000419272992
                   +2 :               0.00000288750342
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :              -0.00003311059095
                   +0 :              -0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :               0.00002511000576
                   +0 :               0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :              -0.00000256209413
                   -1 :              -0.00000013040529
                   +0 :              -0.00001833555859
                   +1 :              -0.00001133924429
                   +2 :               0.00000348228634
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :               0.00042423564598
                   +0 :              -0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :               0.00003611997011
                   +0 :               0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :               0.00002610034519
                   -1 :              -0.00000215066171
                   +0 :               0.00003722792544
                   +1 :              -0.00000625708337
                   +2 :               0.00002229812126
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :               0.00003311059095
                   +0 :              -0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :              -0.00002511000576
                   +0 :               0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :               0.00000256209413
                   -1 :               0.00000013040529
                   +0 :              -0.00001833555859
                   +1 :              -0.00001133924429
                   +2 :               0.00000348228634
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :              -0.00042423564598
                   +0 :              -0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :              -0.00003611997011
                   +0 :               0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :              -0.00002610034519
                   -1 :               0.00000215066171
                   +0 :               0.00003722792544
                   +1 :              -0.00000625708337
                   +2 :               0.00002229812126
WF             site_B          number of pairs
WF( 14)=[O 2p1]  to site O (  7)  npairs=  34
              1 vec=    -3.573189     -3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :               0.01811629011008
                   +0 :              -0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :              -0.00270198006745
                   +0 :              -0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :              -0.00037089460229
                   -1 :               0.00068165824141
                   +0 :               0.00107417192705
                   +1 :               0.00054333311496
                   +2 :               0.00050762793104
              2 vec=    -3.573189      3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :              -0.01811629011008
                   +0 :              -0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :               0.00270198006745
                   +0 :              -0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :               0.00037089460229
                   -1 :              -0.00068165824141
                   +0 :               0.00107417192705
                   +1 :               0.00054333311496
                   +2 :               0.00050762793104
              3 vec=     3.573189     -3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :              -0.01811629011008
                   +0 :               0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :               0.00270198006745
                   +0 :               0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :              -0.00037089460229
                   -1 :              -0.00068165824141
                   +0 :              -0.00107417192705
                   +1 :               0.00054333311496
                   +2 :              -0.00050762793104
              4 vec=     3.573189      3.573189      3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :               0.01811629011008
                   +0 :               0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :              -0.00270198006745
                   +0 :               0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :               0.00037089460229
                   -1 :               0.00068165824141
                   +0 :              -0.00107417192705
                   +1 :               0.00054333311496
                   +2 :              -0.00050762793104
              5 vec=     0.000000      0.000000     -9.133284   |vec|=    9.133284
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :              -0.00152548743043
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00030703512699
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :               0.00016541369879
                   +2 :               0.00000000000000
              6 vec=    -7.146377      0.000000     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00013524117811
                2s
                   +0 :              -0.00235468339529
                3s
                   +0 :               0.00036743013505
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00316421371140
                   +1 :               0.00124792683851
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00044523642921
                   +1 :              -0.00012866755442
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00006977404356
                   +1 :              -0.00007968510605
                   +2 :               0.00001028314716
              7 vec=     0.000000     -7.146377     -9.133284   |vec|=   11.596878
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00164850909627
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00021388529016
                3d
                   -2 :              -0.00004020416405
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00006691002967
                   +2 :              -0.00000000000000
              8 vec=     0.000000      7.146377     -9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00164850909627
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00021388529016
                3d
                   -2 :               0.00004020416405
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006691002967
                   +2 :              -0.00000000000000
              9 vec=     7.146377      0.000000     -9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00013524117811
                2s
                   +0 :               0.00235468339529
                3s
                   +0 :              -0.00036743013505
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00316421371140
                   +1 :               0.00124792683851
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00044523642921
                   +1 :              -0.00012866755442
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00006977404356
                   +1 :              -0.00007968510605
                   +2 :              -0.00001028314716
             10 vec=   -10.719566     -3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :              -0.00001597874089
                   +0 :               0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :              -0.00008183457000
                   +0 :              -0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :              -0.00002801986389
                   -1 :               0.00000157924434
                   +0 :              -0.00001520011499
                   +1 :               0.00003883995336
                   +2 :              -0.00007135955994
             11 vec=   -10.719566      3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :               0.00001597874089
                   +0 :               0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :               0.00008183457000
                   +0 :              -0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :               0.00002801986389
                   -1 :              -0.00000157924434
                   +0 :              -0.00001520011499
                   +1 :               0.00003883995336
                   +2 :              -0.00007135955994
             12 vec=    -3.573189    -10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :               0.00002855816832
                   +0 :              -0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :               0.00010496229748
                   +0 :               0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :              -0.00004527118398
                   -1 :               0.00002001787709
                   +0 :               0.00004286822457
                   +1 :              -0.00001649414875
                   +2 :              -0.00001474668708
             13 vec=    -3.573189     10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :              -0.00002855816832
                   +0 :              -0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :              -0.00010496229748
                   +0 :               0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :               0.00004527118398
                   -1 :              -0.00002001787709
                   +0 :               0.00004286822457
                   +1 :              -0.00001649414875
                   +2 :              -0.00001474668708
             14 vec=     3.573189    -10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :              -0.00002855816832
                   +0 :               0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :              -0.00010496229748
                   +0 :              -0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :              -0.00004527118398
                   -1 :              -0.00002001787709
                   +0 :              -0.00004286822457
                   +1 :              -0.00001649414875
                   +2 :               0.00001474668708
             15 vec=     3.573189     10.719566      3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :               0.00002855816832
                   +0 :               0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :               0.00010496229748
                   +0 :              -0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :               0.00004527118398
                   -1 :               0.00002001787709
                   +0 :              -0.00004286822457
                   +1 :              -0.00001649414875
                   +2 :               0.00001474668708
             16 vec=    10.719566     -3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :               0.00001597874089
                   +0 :              -0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :               0.00008183457000
                   +0 :               0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :              -0.00002801986389
                   -1 :              -0.00000157924434
                   +0 :               0.00001520011499
                   +1 :               0.00003883995336
                   +2 :               0.00007135955994
             17 vec=    10.719566      3.573189      3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :              -0.00001597874089
                   +0 :              -0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :              -0.00008183457000
                   +0 :               0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :               0.00002801986389
                   -1 :               0.00000157924434
                   +0 :               0.00001520011499
                   +1 :               0.00003883995336
                   +2 :               0.00007135955994
             18 vec=    -7.146377     -7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :               0.00059397648294
                   +0 :              -0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :              -0.00016503106517
                   +0 :               0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :               0.00000842569363
                   -1 :               0.00001416093278
                   +0 :              -0.00005023603258
                   +1 :              -0.00001969138335
                   +2 :              -0.00000692114096
             19 vec=    -7.146377      7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :              -0.00059397648294
                   +0 :              -0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :               0.00016503106517
                   +0 :               0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :              -0.00000842569363
                   -1 :              -0.00001416093278
                   +0 :              -0.00005023603258
                   +1 :              -0.00001969138335
                   +2 :              -0.00000692114096
             20 vec=     7.146377     -7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :              -0.00059397648294
                   +0 :               0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :               0.00016503106517
                   +0 :              -0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :               0.00000842569363
                   -1 :              -0.00001416093278
                   +0 :               0.00005023603258
                   +1 :              -0.00001969138335
                   +2 :               0.00000692114096
             21 vec=     7.146377      7.146377     -9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :               0.00059397648294
                   +0 :               0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :              -0.00016503106517
                   +0 :              -0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :              -0.00000842569363
                   -1 :               0.00001416093278
                   +0 :               0.00005023603258
                   +1 :              -0.00001969138335
                   +2 :               0.00000692114096
             22 vec=   -10.719566    -10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :               0.00155904118862
                   +0 :               0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :              -0.00026035405424
                   +0 :              -0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :               0.00000003444014
                   -1 :               0.00005653466864
                   +0 :               0.00003083282364
                   +1 :               0.00004989160637
                   +2 :              -0.00002539720311
             23 vec=   -10.719566     10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :              -0.00155904118862
                   +0 :               0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :               0.00026035405424
                   +0 :              -0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :              -0.00000003444014
                   -1 :              -0.00005653466864
                   +0 :               0.00003083282364
                   +1 :               0.00004989160637
                   +2 :              -0.00002539720311
             24 vec=    10.719566    -10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :              -0.00155904118862
                   +0 :              -0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :               0.00026035405424
                   +0 :               0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :               0.00000003444014
                   -1 :              -0.00005653466864
                   +0 :              -0.00003083282364
                   +1 :               0.00004989160637
                   +2 :               0.00002539720311
             25 vec=    10.719566     10.719566      3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :               0.00155904118862
                   +0 :              -0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :              -0.00026035405424
                   +0 :               0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :              -0.00000003444014
                   -1 :               0.00005653466864
                   +0 :              -0.00003083282364
                   +1 :               0.00004989160637
                   +2 :               0.00002539720311
             26 vec=     0.000000      0.000000     15.903130   |vec|=   15.903130
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :              -0.00106519553694
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00074130063029
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00009736124028
                   +2 :              -0.00000000000000
             27 vec=   -14.292755      0.000000     -9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00001537867931
                2s
                   +0 :              -0.00031188733239
                3s
                   +0 :               0.00013753572505
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00010479689033
                   +1 :               0.00020229960862
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00011920441852
                   +1 :              -0.00018831952725
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001023954382
                   +1 :               0.00001449886128
                   +2 :               0.00002256792892
             28 vec=     0.000000    -14.292755     -9.133284   |vec|=   16.961713
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00061111239304
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00009993218954
                3d
                   -2 :               0.00003764000960
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001476652743
                   +2 :              -0.00000000000000
             29 vec=     0.000000     14.292755     -9.133284   |vec|=   16.961713
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00061111239304
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00009993218954
                3d
                   -2 :              -0.00003764000960
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001476652743
                   +2 :              -0.00000000000000
             30 vec=    14.292755      0.000000     -9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00001537867931
                2s
                   +0 :               0.00031188733239
                3s
                   +0 :              -0.00013753572505
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00010479689033
                   +1 :               0.00020229960862
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00011920441852
                   +1 :              -0.00018831952725
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001023954382
                   +1 :               0.00001449886128
                   +2 :              -0.00002256792892
             31 vec=    -7.146377      0.000000     15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00001577595854
                2s
                   +0 :              -0.00009763106442
                3s
                   +0 :               0.00017294139498
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00018096369276
                   +1 :               0.00052680594657
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00022341053703
                   +1 :               0.00001660310129
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00003236264553
                   +1 :               0.00004112425818
                   +2 :               0.00000142720711
             32 vec=     0.000000     -7.146377     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005363173041
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00007029984125
                3d
                   -2 :               0.00000988481964
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00002164135707
                   +2 :              -0.00000000000000
             33 vec=     0.000000      7.146377     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00005363173041
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00007029984125
                3d
                   -2 :              -0.00000988481964
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00002164135707
                   +2 :               0.00000000000000
             34 vec=     7.146377      0.000000     15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00001577595854
                2s
                   +0 :               0.00009763106442
                3s
                   +0 :              -0.00017294139498
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00018096369276
                   +1 :               0.00052680594657
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00022341053703
                   +1 :               0.00001660310129
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00003236264553
                   +1 :               0.00004112425818
                   +2 :              -0.00000142720711
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :               0.02614641501221
                   +1 :              -0.08227888251598
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :               0.01683261061960
                   +0 :               0.03208793471326
                   +1 :               0.03326120532581
                   +2 :              -0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :               0.00129911910529
                   +0 :               0.00192560839971
                   +1 :              -0.00298719194765
                   +2 :               0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :               0.00331069113577
                   +1 :              -0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :               0.01549615231281
                   -1 :               0.00712582338198
                   +0 :              -0.01250709297084
                   +1 :               0.01364884628505
                   +2 :               0.00753488302829
                   +3 :               0.00541074852406
              2 vec=    -3.573189      3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :              -0.02614641501221
                   +1 :               0.08227888251598
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :               0.01683261061960
                   +0 :              -0.03208793471326
                   +1 :              -0.03326120532581
                   +2 :               0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :               0.00129911910529
                   +0 :              -0.00192560839971
                   +1 :               0.00298719194765
                   +2 :              -0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :              -0.00331069113577
                   +1 :               0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :               0.01549615231281
                   -1 :               0.00712582338198
                   +0 :               0.01250709297084
                   +1 :              -0.01364884628505
                   +2 :              -0.00753488302829
                   +3 :              -0.00541074852406
              3 vec=     3.573189     -3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :               0.02614641501221
                   +1 :               0.08227888251598
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :               0.01683261061960
                   +0 :               0.03208793471326
                   +1 :              -0.03326120532581
                   +2 :              -0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :               0.00129911910529
                   +0 :               0.00192560839971
                   +1 :               0.00298719194765
                   +2 :               0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :               0.00331069113577
                   +1 :               0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :              -0.01549615231281
                   -1 :               0.00712582338198
                   +0 :              -0.01250709297084
                   +1 :              -0.01364884628505
                   +2 :               0.00753488302829
                   +3 :              -0.00541074852406
              4 vec=     3.573189      3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :              -0.05449597789915
                   +0 :              -0.02614641501221
                   +1 :              -0.08227888251598
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :               0.01683261061960
                   +0 :              -0.03208793471326
                   +1 :               0.03326120532581
                   +2 :               0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :               0.00129911910529
                   +0 :              -0.00192560839971
                   +1 :              -0.00298719194765
                   +2 :              -0.00404106230453
                6p
                   -1 :              -0.00222949376557
                   +0 :              -0.00331069113577
                   +1 :              -0.00800772146902
                4f
                   -3 :              -0.02858680960397
                   -2 :              -0.01549615231281
                   -1 :               0.00712582338198
                   +0 :               0.01250709297084
                   +1 :               0.01364884628505
                   +2 :              -0.00753488302829
                   +3 :               0.00541074852406
              5 vec=   -10.719566     -3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :               0.00061339942960
                   +1 :              -0.00166863909623
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :              -0.00049394790317
                   +0 :               0.00043839391877
                   +1 :               0.00045289607543
                   +2 :              -0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :               0.00011983136585
                   +0 :               0.00017854555947
                   +1 :               0.00027051749658
                   +2 :              -0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :               0.00000774335808
                   +1 :              -0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :              -0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :              -0.00079547376021
                   +1 :              -0.00019669045640
                   +2 :              -0.00033681782588
                   +3 :               0.00021612930547
              6 vec=   -10.719566      3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :              -0.00061339942960
                   +1 :               0.00166863909623
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :              -0.00049394790317
                   +0 :              -0.00043839391877
                   +1 :              -0.00045289607543
                   +2 :               0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :               0.00011983136585
                   +0 :              -0.00017854555947
                   +1 :              -0.00027051749658
                   +2 :               0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :              -0.00000774335808
                   +1 :               0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :              -0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :               0.00079547376021
                   +1 :               0.00019669045640
                   +2 :               0.00033681782588
                   +3 :              -0.00021612930547
              7 vec=    -3.573189    -10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :               0.00057234510004
                   +1 :              -0.00054362310281
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :               0.00096664435939
                   +0 :               0.00156424730693
                   +1 :              -0.00004783419230
                   +2 :               0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :              -0.00022106529893
                   +0 :              -0.00063951963368
                   +1 :              -0.00026638515465
                   +2 :              -0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :              -0.00010408422277
                   +1 :               0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :               0.00004856537930
                   -1 :               0.00045552011530
                   +0 :              -0.00068937302327
                   +1 :              -0.00001755126458
                   +2 :              -0.00056192465122
                   +3 :               0.00078034915005
              8 vec=    -3.573189     10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :              -0.00057234510004
                   +1 :               0.00054362310281
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :               0.00096664435939
                   +0 :              -0.00156424730693
                   +1 :               0.00004783419230
                   +2 :              -0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :              -0.00022106529893
                   +0 :               0.00063951963368
                   +1 :               0.00026638515465
                   +2 :               0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :               0.00010408422277
                   +1 :              -0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :               0.00004856537930
                   -1 :               0.00045552011530
                   +0 :               0.00068937302327
                   +1 :               0.00001755126458
                   +2 :               0.00056192465122
                   +3 :              -0.00078034915005
              9 vec=     3.573189    -10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :               0.00057234510004
                   +1 :               0.00054362310281
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :               0.00096664435939
                   +0 :               0.00156424730693
                   +1 :               0.00004783419230
                   +2 :               0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :              -0.00022106529893
                   +0 :              -0.00063951963368
                   +1 :               0.00026638515465
                   +2 :              -0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :              -0.00010408422277
                   +1 :              -0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :              -0.00004856537930
                   -1 :               0.00045552011530
                   +0 :              -0.00068937302327
                   +1 :               0.00001755126458
                   +2 :              -0.00056192465122
                   +3 :              -0.00078034915005
             10 vec=     3.573189     10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :              -0.00078395259087
                   +0 :              -0.00057234510004
                   +1 :              -0.00054362310281
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :               0.00096664435939
                   +0 :              -0.00156424730693
                   +1 :              -0.00004783419230
                   +2 :              -0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :              -0.00022106529893
                   +0 :               0.00063951963368
                   +1 :              -0.00026638515465
                   +2 :               0.00071740938417
                6p
                   -1 :              -0.00031032769892
                   +0 :               0.00010408422277
                   +1 :               0.00004895411188
                4f
                   -3 :               0.00031626653516
                   -2 :              -0.00004856537930
                   -1 :               0.00045552011530
                   +0 :               0.00068937302327
                   +1 :              -0.00001755126458
                   +2 :               0.00056192465122
                   +3 :               0.00078034915005
             11 vec=    10.719566     -3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :               0.00061339942960
                   +1 :               0.00166863909623
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :              -0.00049394790317
                   +0 :               0.00043839391877
                   +1 :              -0.00045289607543
                   +2 :              -0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :               0.00011983136585
                   +0 :               0.00017854555947
                   +1 :              -0.00027051749658
                   +2 :              -0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :               0.00000774335808
                   +1 :               0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :               0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :              -0.00079547376021
                   +1 :               0.00019669045640
                   +2 :              -0.00033681782588
                   +3 :              -0.00021612930547
             12 vec=    10.719566      3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :              -0.00044329331915
                   +0 :              -0.00061339942960
                   +1 :              -0.00166863909623
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :              -0.00049394790317
                   +0 :              -0.00043839391877
                   +1 :               0.00045289607543
                   +2 :               0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :               0.00011983136585
                   +0 :              -0.00017854555947
                   +1 :               0.00027051749658
                   +2 :               0.00018705866771
                6p
                   -1 :               0.00033550808955
                   +0 :              -0.00000774335808
                   +1 :              -0.00140665170866
                4f
                   -3 :              -0.00112615195221
                   -2 :               0.00012936480411
                   -1 :              -0.00013064647426
                   +0 :               0.00079547376021
                   +1 :              -0.00019669045640
                   +2 :               0.00033681782588
                   +3 :               0.00021612930547
             13 vec=     0.000000      0.000000    -11.456663   |vec|=   11.456663
                5p
                   -1 :               0.00066224307083
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00303483150860
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00184200057634
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00095067387054
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00068557735169
                   -2 :               0.00000000000000
                   -1 :               0.00022837298084
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             14 vec=    -7.146377      0.000000    -11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00039196865390
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00044919353632
                   -1 :              -0.00002544095189
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00033289612724
                   -1 :               0.00029478586322
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00012250660049
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00014046041973
                   -2 :              -0.00013269228931
                   -1 :               0.00004541385857
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             15 vec=     0.000000     -7.146377    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00142362402535
                5p
                   -1 :               0.00122662648551
                   +0 :               0.00114283383424
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00058782316591
                7s
                   +0 :              -0.00024059125392
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00225180670006
                   +0 :              -0.00006358943724
                   +1 :              -0.00000000000000
                   +2 :              -0.00193863526457
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00036551319733
                   +0 :               0.00024378040302
                   +1 :              -0.00000000000000
                   +2 :              -0.00022597431413
                6p
                   -1 :              -0.00007672645912
                   +0 :              -0.00021806853344
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00039214798733
                   -2 :              -0.00000000000000
                   -1 :               0.00085782339167
                   +0 :               0.00002035339133
                   +1 :               0.00000000000000
                   +2 :              -0.00131737275570
                   +3 :               0.00000000000000
             16 vec=     0.000000      7.146377    -11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00142362402535
                5p
                   -1 :               0.00122662648551
                   +0 :              -0.00114283383424
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00058782316591
                7s
                   +0 :               0.00024059125392
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00225180670006
                   +0 :               0.00006358943724
                   +1 :              -0.00000000000000
                   +2 :               0.00193863526457
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00036551319733
                   +0 :              -0.00024378040302
                   +1 :              -0.00000000000000
                   +2 :               0.00022597431413
                6p
                   -1 :              -0.00007672645912
                   +0 :               0.00021806853344
                4f
                   -3 :              -0.00039214798733
                   -2 :               0.00000000000000
                   -1 :               0.00085782339167
                   +0 :              -0.00002035339133
                   +2 :               0.00131737275570
                   +3 :              -0.00000000000000
             17 vec=     7.146377      0.000000    -11.456663   |vec|=   13.502809
                5p
                   -1 :               0.00039196865390
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :               0.00044919353632
                   -1 :              -0.00002544095189
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                6d
                   -2 :              -0.00033289612724
                   -1 :               0.00029478586322
                   +0 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00012250660049
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00014046041973
                   -2 :               0.00013269228931
                   -1 :               0.00004541385857
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             18 vec=     0.000000      0.000000     13.579751   |vec|=   13.579751
                5p
                   -1 :              -0.00011583218729
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00091585277263
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00022795505033
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00004969194389
                4f
                   -3 :               0.00014606277819
                   -2 :              -0.00000000000000
                   -1 :              -0.00041573570754
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             19 vec=   -10.719566    -10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :               0.00048025789920
                   +1 :              -0.00031381645225
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :               0.00145789787449
                   +0 :               0.00093962323009
                   +1 :               0.00135614493841
                   +2 :               0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :              -0.00024451632751
                   +0 :               0.00010778161816
                   +1 :              -0.00016191341876
                   +2 :              -0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :               0.00015357616455
                   +1 :              -0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :               0.00091644218607
                   -1 :               0.00046749184551
                   +0 :              -0.00070406379794
                   +1 :               0.00029091851500
                   +2 :              -0.00033489055551
                   +3 :               0.00095229123119
             20 vec=   -10.719566     10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :              -0.00048025789920
                   +1 :               0.00031381645225
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :               0.00145789787449
                   +0 :              -0.00093962323009
                   +1 :              -0.00135614493841
                   +2 :              -0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :              -0.00024451632751
                   +0 :              -0.00010778161816
                   +1 :               0.00016191341876
                   +2 :               0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :              -0.00015357616455
                   +1 :               0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :               0.00091644218607
                   -1 :               0.00046749184551
                   +0 :               0.00070406379794
                   +1 :              -0.00029091851500
                   +2 :               0.00033489055551
                   +3 :              -0.00095229123119
             21 vec=    10.719566    -10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :               0.00048025789920
                   +1 :               0.00031381645225
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :               0.00145789787449
                   +0 :               0.00093962323009
                   +1 :              -0.00135614493841
                   +2 :               0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :              -0.00024451632751
                   +0 :               0.00010778161816
                   +1 :               0.00016191341876
                   +2 :              -0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :               0.00015357616455
                   +1 :               0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :              -0.00091644218607
                   -1 :               0.00046749184551
                   +0 :              -0.00070406379794
                   +1 :              -0.00029091851500
                   +2 :              -0.00033489055551
                   +3 :              -0.00095229123119
             22 vec=    10.719566     10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :              -0.00024504233569
                   +0 :              -0.00048025789920
                   +1 :              -0.00031381645225
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :               0.00145789787449
                   +0 :              -0.00093962323009
                   +1 :               0.00135614493841
                   +2 :              -0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :              -0.00024451632751
                   +0 :              -0.00010778161816
                   +1 :              -0.00016191341876
                   +2 :               0.00015908516993
                6p
                   -1 :              -0.00026724304526
                   +0 :              -0.00015357616455
                   +1 :              -0.00025661326626
                4f
                   -3 :              -0.00035824641829
                   -2 :              -0.00091644218607
                   -1 :               0.00046749184551
                   +0 :               0.00070406379794
                   +1 :               0.00029091851500
                   +2 :               0.00033489055551
                   +3 :               0.00095229123119
             23 vec=    -7.146377     -7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :               0.00006887077924
                   +1 :              -0.00004488562942
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :               0.00006989040868
                   +0 :               0.00015683289519
                   +1 :               0.00006384592461
                   +2 :              -0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :              -0.00016994547369
                   +0 :               0.00000647198193
                   +1 :              -0.00007041041773
                   +2 :               0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :              -0.00001831919474
                   +1 :              -0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :               0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :               0.00012251007782
                   +1 :               0.00004321150074
                   +2 :              -0.00008298440017
                   +3 :              -0.00012158775374
             24 vec=    -7.146377      7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :              -0.00006887077924
                   +1 :               0.00004488562942
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :               0.00006989040868
                   +0 :              -0.00015683289519
                   +1 :              -0.00006384592461
                   +2 :               0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :              -0.00016994547369
                   +0 :              -0.00000647198193
                   +1 :               0.00007041041773
                   +2 :              -0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :               0.00001831919474
                   +1 :               0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :               0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :              -0.00012251007782
                   +1 :              -0.00004321150074
                   +2 :               0.00008298440017
                   +3 :               0.00012158775374
             25 vec=     7.146377     -7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :               0.00006887077924
                   +1 :               0.00004488562942
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :               0.00006989040868
                   +0 :               0.00015683289519
                   +1 :              -0.00006384592461
                   +2 :              -0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :              -0.00016994547369
                   +0 :               0.00000647198193
                   +1 :               0.00007041041773
                   +2 :               0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :              -0.00001831919474
                   +1 :               0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :              -0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :               0.00012251007782
                   +1 :              -0.00004321150074
                   +2 :              -0.00008298440017
                   +3 :               0.00012158775374
             26 vec=     7.146377      7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :              -0.00014930899228
                   +0 :              -0.00006887077924
                   +1 :              -0.00004488562942
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :               0.00006989040868
                   +0 :              -0.00015683289519
                   +1 :               0.00006384592461
                   +2 :               0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :              -0.00016994547369
                   +0 :              -0.00000647198193
                   +1 :              -0.00007041041773
                   +2 :              -0.00004726088862
                6p
                   -1 :               0.00004514766166
                   +0 :               0.00001831919474
                   +1 :              -0.00002004912542
                4f
                   -3 :               0.00010460428085
                   -2 :              -0.00009392131604
                   -1 :              -0.00000748617043
                   +0 :              -0.00012251007782
                   +1 :               0.00004321150074
                   +2 :               0.00008298440017
                   +3 :              -0.00012158775374
             27 vec=    -7.146377      0.000000     13.579751   |vec|=   15.345369
                5p
                   -1 :              -0.00006150344320
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00028052027744
                   -1 :               0.00034033307734
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00007526783968
                   -1 :              -0.00006081898537
                   +0 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001665007872
                   +0 :              -0.00000000000000
                4f
                   -3 :               0.00007478109075
                   -2 :               0.00000986970808
                   -1 :              -0.00003885346034
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :              -0.00000000000000
             28 vec=     0.000000     -7.146377     13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00026066645725
                5p
                   -1 :               0.00012591975310
                   +0 :               0.00050048077745
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00023571540106
                7s
                   +0 :              -0.00000323730309
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00049105000383
                   +0 :              -0.00088982523603
                   +1 :              -0.00000000000000
                   +2 :              -0.00013964226262
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00012188650245
                   +0 :              -0.00004737170155
                   +1 :              -0.00000000000000
                   +2 :               0.00002548777278
                6p
                   -1 :               0.00002917343109
                   +0 :               0.00001644833177
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00001017176117
                   -2 :               0.00000000000000
                   -1 :               0.00020807192442
                   +0 :               0.00060913078671
                   +1 :              -0.00000000000000
                   +2 :               0.00008361794885
                   +3 :              -0.00000000000000
             29 vec=     0.000000      7.146377     13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00026066645725
                5p
                   -1 :               0.00012591975310
                   +0 :              -0.00050048077745
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00023571540106
                7s
                   +0 :               0.00000323730309
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00049105000383
                   +0 :               0.00088982523603
                   +1 :               0.00000000000000
                   +2 :               0.00013964226262
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00012188650245
                   +0 :               0.00004737170155
                   +1 :               0.00000000000000
                   +2 :              -0.00002548777278
                6p
                   -1 :               0.00002917343109
                   +0 :              -0.00001644833177
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00001017176117
                   -2 :              -0.00000000000000
                   -1 :               0.00020807192442
                   +0 :              -0.00060913078671
                   +1 :              -0.00000000000000
                   +2 :              -0.00008361794885
                   +3 :               0.00000000000000
             30 vec=     7.146377      0.000000     13.579751   |vec|=   15.345369
                5p
                   -1 :              -0.00006150344320
                   +0 :               0.00000000000000
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00028052027744
                   -1 :               0.00034033307734
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00007526783968
                   -1 :              -0.00006081898537
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001665007872
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00007478109075
                   -2 :              -0.00000986970808
                   -1 :              -0.00003885346034
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             31 vec=    -7.146377     -7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :              -0.00013783044062
                   +1 :               0.00003070947413
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :              -0.00012690952574
                   +0 :              -0.00026087742881
                   +1 :              -0.00002183750112
                   +2 :              -0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :               0.00001268342857
                   +0 :               0.00013617303020
                   +1 :              -0.00005098546629
                   +2 :               0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :               0.00011926691806
                   +1 :               0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :               0.00000459382652
                   -1 :               0.00001576189199
                   +0 :               0.00011994927883
                   +1 :               0.00004417456967
                   +2 :               0.00007013765147
                   +3 :              -0.00003782192348
             32 vec=    -7.146377      7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :               0.00013783044062
                   +1 :              -0.00003070947413
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :              -0.00012690952574
                   +0 :               0.00026087742881
                   +1 :               0.00002183750112
                   +2 :               0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :               0.00001268342857
                   +0 :              -0.00013617303020
                   +1 :               0.00005098546629
                   +2 :              -0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :              -0.00011926691806
                   +1 :              -0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :               0.00000459382652
                   -1 :               0.00001576189199
                   +0 :              -0.00011994927883
                   +1 :              -0.00004417456967
                   +2 :              -0.00007013765147
                   +3 :               0.00003782192348
             33 vec=     7.146377     -7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :              -0.00013783044062
                   +1 :              -0.00003070947413
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :              -0.00012690952574
                   +0 :              -0.00026087742881
                   +1 :               0.00002183750112
                   +2 :              -0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :               0.00001268342857
                   +0 :               0.00013617303020
                   +1 :               0.00005098546629
                   +2 :               0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :               0.00011926691806
                   +1 :              -0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :              -0.00000459382652
                   -1 :               0.00001576189199
                   +0 :               0.00011994927883
                   +1 :              -0.00004417456967
                   +2 :               0.00007013765147
                   +3 :               0.00003782192348
             34 vec=     7.146377      7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :               0.00006322739405
                   +0 :               0.00013783044062
                   +1 :               0.00003070947413
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :              -0.00012690952574
                   +0 :               0.00026087742881
                   +1 :              -0.00002183750112
                   +2 :               0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :               0.00001268342857
                   +0 :              -0.00013617303020
                   +1 :              -0.00005098546629
                   +2 :              -0.00001846079395
                6p
                   -1 :              -0.00000332722354
                   +0 :              -0.00011926691806
                   +1 :               0.00000671037333
                4f
                   -3 :               0.00001476894557
                   -2 :              -0.00000459382652
                   -1 :               0.00001576189199
                   +0 :              -0.00011994927883
                   +1 :               0.00004417456967
                   +2 :              -0.00007013765147
                   +3 :              -0.00003782192348
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site La(  2)  npairs=  41
              1 vec=     0.000000      0.000000     -4.446467   |vec|=    4.446467
                5p
                   -1 :               0.06423488351347
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.10173324011595
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00926686221903
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00686599877851
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00287433085267
                   -2 :               0.00000000000000
                   -1 :               0.05840111411616
                   +1 :              -0.00000000000000
                   +3 :               0.00000000000000
              2 vec=    -7.146377      0.000000     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00162304590006
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00242784371703
                   -1 :               0.00177887164828
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00028805989271
                   -1 :              -0.00099788635188
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00030204450756
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005529025623
                   -2 :               0.00024543726916
                   -1 :              -0.00041546490457
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
              3 vec=     0.000000     -7.146377     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00156926056906
                5p
                   -1 :              -0.00173749920537
                   +0 :              -0.00092294705129
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00588515154313
                7s
                   +0 :              -0.00147221718903
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00676063706036
                   +0 :              -0.00033063720713
                   +1 :               0.00000000000000
                   +2 :               0.00049939821970
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00478536183309
                   +0 :               0.00112190422527
                   +1 :              -0.00000000000000
                   +2 :              -0.00183278833449
                6p
                   -1 :              -0.00098483733367
                   +0 :              -0.00153210896897
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00003734056875
                   -2 :              -0.00000000000000
                   -1 :              -0.00025312297381
                   +0 :               0.00039968143563
                   +1 :               0.00000000000000
                   +2 :              -0.00023779186312
                   +3 :               0.00000000000000
              4 vec=     0.000000      7.146377     -4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00156926056906
                5p
                   -1 :              -0.00173749920537
                   +0 :               0.00092294705129
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00588515154313
                7s
                   +0 :               0.00147221718903
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00676063706036
                   +0 :               0.00033063720713
                   +1 :               0.00000000000000
                   +2 :              -0.00049939821970
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00478536183309
                   +0 :              -0.00112190422527
                   +1 :              -0.00000000000000
                   +2 :               0.00183278833449
                6p
                   -1 :              -0.00098483733367
                   +0 :               0.00153210896897
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00003734056875
                   -2 :              -0.00000000000000
                   -1 :              -0.00025312297381
                   +0 :              -0.00039968143563
                   +1 :               0.00000000000000
                   +2 :               0.00023779186312
                   +3 :              -0.00000000000000
              5 vec=     7.146377      0.000000     -4.446467   |vec|=    8.416756
                5p
                   -1 :               0.00162304590006
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00242784371703
                   -1 :               0.00177887164828
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00028805989271
                   -1 :              -0.00099788635188
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00030204450756
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00005529025623
                   -2 :              -0.00024543726916
                   -1 :              -0.00041546490457
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
              6 vec=    -3.573189     -3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :              -0.00034395743770
                   +1 :              -0.00076200262633
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :               0.00093911973712
                   +0 :               0.00187883008042
                   +1 :               0.00186077477119
                   +2 :              -0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :               0.00000061940935
                   +0 :              -0.00041286554547
                   +1 :               0.00013633198176
                   +2 :              -0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :               0.00020961243973
                   +1 :              -0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :              -0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :              -0.00125601009783
                   +1 :              -0.00036529986384
                   +2 :               0.00068264512012
                   +3 :              -0.00015779358523
              7 vec=    -3.573189      3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :               0.00034395743770
                   +1 :               0.00076200262633
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :               0.00093911973712
                   +0 :              -0.00187883008042
                   +1 :              -0.00186077477119
                   +2 :               0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :               0.00000061940935
                   +0 :               0.00041286554547
                   +1 :              -0.00013633198176
                   +2 :               0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :              -0.00020961243973
                   +1 :               0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :              -0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :               0.00125601009783
                   +1 :               0.00036529986384
                   +2 :              -0.00068264512012
                   +3 :               0.00015779358523
              8 vec=     3.573189     -3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :              -0.00034395743770
                   +1 :               0.00076200262633
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :               0.00093911973712
                   +0 :               0.00187883008042
                   +1 :              -0.00186077477119
                   +2 :              -0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :               0.00000061940935
                   +0 :              -0.00041286554547
                   +1 :              -0.00013633198176
                   +2 :              -0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :               0.00020961243973
                   +1 :               0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :               0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :              -0.00125601009783
                   +1 :               0.00036529986384
                   +2 :               0.00068264512012
                   +3 :               0.00015779358523
              9 vec=     3.573189      3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :              -0.00032279033285
                   +0 :               0.00034395743770
                   +1 :              -0.00076200262633
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :               0.00093911973712
                   +0 :              -0.00187883008042
                   +1 :               0.00186077477119
                   +2 :               0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :               0.00000061940935
                   +0 :               0.00041286554547
                   +1 :               0.00013633198176
                   +2 :               0.00004761904319
                6p
                   -1 :               0.00016478654153
                   +0 :              -0.00020961243973
                   +1 :              -0.00011655971724
                4f
                   -3 :               0.00003279114529
                   -2 :               0.00020726350561
                   -1 :              -0.00046638286491
                   +0 :               0.00125601009783
                   +1 :              -0.00036529986384
                   +2 :              -0.00068264512012
                   +3 :              -0.00015779358523
             10 vec=    -7.146377     -7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :              -0.00035659795250
                   +1 :              -0.00131121024457
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :              -0.00036754792223
                   +0 :               0.00151151593558
                   +1 :               0.00019542324443
                   +2 :              -0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :               0.00067829676413
                   +0 :              -0.00014668510794
                   +1 :              -0.00005960073864
                   +2 :               0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :              -0.00031597825036
                   +1 :              -0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :              -0.00114343686994
                   -1 :               0.00193134017014
                   +0 :               0.00038515067323
                   +1 :               0.00195898741525
                   +2 :              -0.00053564333222
                   +3 :               0.00089021872414
             11 vec=    -7.146377      7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :               0.00035659795250
                   +1 :               0.00131121024457
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :              -0.00036754792223
                   +0 :              -0.00151151593558
                   +1 :              -0.00019542324443
                   +2 :               0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :               0.00067829676413
                   +0 :               0.00014668510794
                   +1 :               0.00005960073864
                   +2 :              -0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :               0.00031597825036
                   +1 :               0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :              -0.00114343686994
                   -1 :               0.00193134017014
                   +0 :              -0.00038515067323
                   +1 :              -0.00195898741525
                   +2 :               0.00053564333222
                   +3 :              -0.00089021872414
             12 vec=     7.146377     -7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :              -0.00035659795250
                   +1 :               0.00131121024457
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :              -0.00036754792223
                   +0 :               0.00151151593558
                   +1 :              -0.00019542324443
                   +2 :              -0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :               0.00067829676413
                   +0 :              -0.00014668510794
                   +1 :               0.00005960073864
                   +2 :               0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :              -0.00031597825036
                   +1 :               0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :               0.00114343686994
                   -1 :               0.00193134017014
                   +0 :               0.00038515067323
                   +1 :              -0.00195898741525
                   +2 :              -0.00053564333222
                   +3 :              -0.00089021872414
             13 vec=     7.146377      7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :              -0.00164746801819
                   +0 :               0.00035659795250
                   +1 :              -0.00131121024457
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :              -0.00036754792223
                   +0 :              -0.00151151593558
                   +1 :               0.00019542324443
                   +2 :               0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :               0.00067829676413
                   +0 :               0.00014668510794
                   +1 :              -0.00005960073864
                   +2 :              -0.00004016087647
                6p
                   -1 :              -0.00032003166652
                   +0 :               0.00031597825036
                   +1 :              -0.00025425585277
                4f
                   -3 :              -0.00098704615542
                   -2 :               0.00114343686994
                   -1 :               0.00193134017014
                   +0 :              -0.00038515067323
                   +1 :               0.00195898741525
                   +2 :               0.00053564333222
                   +3 :               0.00089021872414
             14 vec=   -10.719566     -3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :               0.00055579038715
                   +1 :              -0.00078957035185
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :              -0.00009777446845
                   +0 :              -0.00005912043181
                   +1 :               0.00191143558620
                   +2 :              -0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :               0.00003032218421
                   +0 :              -0.00021658998147
                   +1 :               0.00047913123547
                   +2 :              -0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :              -0.00000518886618
                   +1 :               0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :               0.00001606999526
                   -1 :               0.00001753532624
                   +0 :               0.00004905618656
                   +1 :              -0.00080146361794
                   +2 :               0.00097093351079
                   +3 :              -0.00031299304337
             15 vec=   -10.719566      3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :              -0.00055579038715
                   +1 :               0.00078957035185
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :              -0.00009777446845
                   +0 :               0.00005912043181
                   +1 :              -0.00191143558620
                   +2 :               0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :               0.00003032218421
                   +0 :               0.00021658998147
                   +1 :              -0.00047913123547
                   +2 :               0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :               0.00000518886618
                   +1 :              -0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :               0.00001606999526
                   -1 :               0.00001753532624
                   +0 :              -0.00004905618656
                   +1 :               0.00080146361794
                   +2 :              -0.00097093351079
                   +3 :               0.00031299304337
             16 vec=    -3.573189    -10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :              -0.00020715913466
                   +1 :              -0.00025215604938
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :               0.00124316127098
                   +0 :              -0.00036883364689
                   +1 :              -0.00022923120985
                   +2 :               0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :              -0.00021157055676
                   +0 :               0.00017961363509
                   +1 :               0.00014786637084
                   +2 :              -0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :               0.00009002709098
                   +1 :               0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :              -0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :               0.00009197114518
                   +1 :              -0.00009559393035
                   +2 :              -0.00053173594407
                   +3 :              -0.00005244663354
             17 vec=    -3.573189     10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :               0.00020715913466
                   +1 :               0.00025215604938
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :               0.00124316127098
                   +0 :               0.00036883364689
                   +1 :               0.00022923120985
                   +2 :              -0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :              -0.00021157055676
                   +0 :              -0.00017961363509
                   +1 :              -0.00014786637084
                   +2 :               0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :              -0.00009002709098
                   +1 :              -0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :              -0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :              -0.00009197114518
                   +1 :               0.00009559393035
                   +2 :               0.00053173594407
                   +3 :               0.00005244663354
             18 vec=     3.573189    -10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :              -0.00020715913466
                   +1 :               0.00025215604938
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :               0.00124316127098
                   +0 :              -0.00036883364689
                   +1 :               0.00022923120985
                   +2 :               0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :              -0.00021157055676
                   +0 :               0.00017961363509
                   +1 :              -0.00014786637084
                   +2 :              -0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :               0.00009002709098
                   +1 :              -0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :               0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :               0.00009197114518
                   +1 :               0.00009559393035
                   +2 :              -0.00053173594407
                   +3 :               0.00005244663354
             19 vec=     3.573189     10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :               0.00023983643438
                   +0 :               0.00020715913466
                   +1 :              -0.00025215604938
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :               0.00124316127098
                   +0 :               0.00036883364689
                   +1 :              -0.00022923120985
                   +2 :              -0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :              -0.00021157055676
                   +0 :              -0.00017961363509
                   +1 :               0.00014786637084
                   +2 :               0.00015568044606
                6p
                   -1 :              -0.00025283352978
                   +0 :              -0.00009002709098
                   +1 :               0.00000927464578
                4f
                   -3 :               0.00016556156303
                   -2 :               0.00014633114174
                   -1 :              -0.00040462870494
                   +0 :              -0.00009197114518
                   +1 :              -0.00009559393035
                   +2 :               0.00053173594407
                   +3 :              -0.00005244663354
             20 vec=    10.719566     -3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :               0.00055579038715
                   +1 :               0.00078957035185
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :              -0.00009777446845
                   +0 :              -0.00005912043181
                   +1 :              -0.00191143558620
                   +2 :              -0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :               0.00003032218421
                   +0 :              -0.00021658998147
                   +1 :              -0.00047913123547
                   +2 :              -0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :              -0.00000518886618
                   +1 :              -0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :              -0.00001606999526
                   -1 :               0.00001753532624
                   +0 :               0.00004905618656
                   +1 :               0.00080146361794
                   +2 :               0.00097093351079
                   +3 :               0.00031299304337
             21 vec=    10.719566      3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :               0.00008156860823
                   +0 :              -0.00055579038715
                   +1 :              -0.00078957035185
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :              -0.00009777446845
                   +0 :               0.00005912043181
                   +1 :               0.00191143558620
                   +2 :               0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :               0.00003032218421
                   +0 :               0.00021658998147
                   +1 :               0.00047913123547
                   +2 :               0.00031822693185
                6p
                   -1 :               0.00001049759554
                   +0 :               0.00000518886618
                   +1 :               0.00000003594099
                4f
                   -3 :              -0.00009897536100
                   -2 :              -0.00001606999526
                   -1 :               0.00001753532624
                   +0 :              -0.00004905618656
                   +1 :              -0.00080146361794
                   +2 :              -0.00097093351079
                   +3 :              -0.00031299304337
             22 vec=   -14.292755      0.000000     -4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00001366061391
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00000000000000
                5d
                   -2 :               0.00006818952292
                   -1 :               0.00005268732700
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00004150739544
                   -1 :              -0.00002237073782
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000011024277
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00013892566273
                   -2 :              -0.00003375030344
                   -1 :               0.00010770067462
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                   +3 :               0.00000000000000
             23 vec=     0.000000    -14.292755     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00003671152910
                5p
                   -1 :               0.00020084385193
                   +0 :              -0.00008331959673
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00010051679474
                7s
                   +0 :               0.00007013697343
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00039836717465
                   +0 :               0.00011880225193
                   +1 :               0.00000000000000
                   +2 :              -0.00119406541142
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00026029149671
                   +0 :              -0.00002220167958
                   +1 :              -0.00000000000000
                   +2 :               0.00029775500165
                6p
                   -1 :              -0.00016673825626
                   +0 :               0.00006376280401
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00045109182092
                   -2 :              -0.00000000000000
                   -1 :              -0.00019863543936
                   +0 :              -0.00014142973199
                   +1 :               0.00000000000000
                   +2 :              -0.00042612379447
                   +3 :               0.00000000000000
             24 vec=     0.000000     14.292755     -4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00003671152910
                5p
                   -1 :               0.00020084385193
                   +0 :               0.00008331959673
                   +1 :               0.00000000000000
                6s
                   +0 :              -0.00010051679474
                7s
                   +0 :              -0.00007013697343
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00039836717465
                   +0 :              -0.00011880225193
                   +1 :               0.00000000000000
                   +2 :               0.00119406541142
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00026029149671
                   +0 :               0.00002220167958
                   +1 :              -0.00000000000000
                   +2 :              -0.00029775500165
                6p
                   -1 :              -0.00016673825626
                   +0 :              -0.00006376280401
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00045109182092
                   -2 :               0.00000000000000
                   -1 :              -0.00019863543936
                   +0 :               0.00014142973199
                   +1 :               0.00000000000000
                   +2 :               0.00042612379447
                   +3 :               0.00000000000000
             25 vec=    14.292755      0.000000     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00001366061391
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                5d
                   -2 :              -0.00006818952292
                   -1 :               0.00005268732700
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00004150739544
                   -1 :              -0.00002237073782
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000011024277
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00013892566273
                   -2 :               0.00003375030344
                   -1 :               0.00010770067462
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             26 vec=   -14.292755     -7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :               0.00001021296756
                   +1 :              -0.00005581222147
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :               0.00005902356971
                   +0 :               0.00016768121631
                   +1 :              -0.00018624562078
                   +2 :              -0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :               0.00001983821299
                   +0 :              -0.00002016167208
                   +1 :               0.00008843535406
                   +2 :               0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :              -0.00003087067859
                   +1 :              -0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :               0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :               0.00005244608015
                   +1 :               0.00006799674666
                   +2 :              -0.00018554806550
                   +3 :              -0.00012674618846
             27 vec=   -14.292755      7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :              -0.00001021296756
                   +1 :               0.00005581222147
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :               0.00005902356971
                   +0 :              -0.00016768121631
                   +1 :               0.00018624562078
                   +2 :               0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :               0.00001983821299
                   +0 :               0.00002016167208
                   +1 :              -0.00008843535406
                   +2 :              -0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :               0.00003087067859
                   +1 :               0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :               0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :              -0.00005244608015
                   +1 :              -0.00006799674666
                   +2 :               0.00018554806550
                   +3 :               0.00012674618846
             28 vec=    -7.146377    -14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :              -0.00012082877211
                   +1 :               0.00006340173054
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :               0.00002109344358
                   +0 :               0.00012885625891
                   +1 :               0.00004528706388
                   +2 :              -0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :              -0.00001782824303
                   +0 :               0.00000217085357
                   +1 :               0.00001704004619
                   +2 :               0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :               0.00001823055382
                   +1 :              -0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :               0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :              -0.00001145045249
                   +1 :               0.00008389061919
                   +2 :              -0.00027728800124
                   +3 :              -0.00002409897074
             29 vec=    -7.146377     14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :               0.00012082877211
                   +1 :              -0.00006340173054
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :               0.00002109344358
                   +0 :              -0.00012885625891
                   +1 :              -0.00004528706388
                   +2 :               0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :              -0.00001782824303
                   +0 :              -0.00000217085357
                   +1 :              -0.00001704004619
                   +2 :              -0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :              -0.00001823055382
                   +1 :               0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :               0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :               0.00001145045249
                   +1 :              -0.00008389061919
                   +2 :               0.00027728800124
                   +3 :               0.00002409897074
             30 vec=     7.146377    -14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :              -0.00012082877211
                   +1 :              -0.00006340173054
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :               0.00002109344358
                   +0 :               0.00012885625891
                   +1 :              -0.00004528706388
                   +2 :              -0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :              -0.00001782824303
                   +0 :               0.00000217085357
                   +1 :              -0.00001704004619
                   +2 :               0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :               0.00001823055382
                   +1 :               0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :              -0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :              -0.00001145045249
                   +1 :              -0.00008389061919
                   +2 :              -0.00027728800124
                   +3 :               0.00002409897074
             31 vec=     7.146377     14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :               0.00002596811932
                   +0 :               0.00012082877211
                   +1 :               0.00006340173054
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :               0.00002109344358
                   +0 :              -0.00012885625891
                   +1 :               0.00004528706388
                   +2 :               0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :              -0.00001782824303
                   +0 :              -0.00000217085357
                   +1 :               0.00001704004619
                   +2 :              -0.00007098342465
                6p
                   -1 :              -0.00010658084364
                   +0 :              -0.00001823055382
                   +1 :              -0.00003218903962
                4f
                   -3 :              -0.00033025840688
                   -2 :              -0.00003778975261
                   -1 :              -0.00002633747784
                   +0 :               0.00001145045249
                   +1 :               0.00008389061919
                   +2 :               0.00027728800124
                   +3 :              -0.00002409897074
             32 vec=    14.292755     -7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :               0.00001021296756
                   +1 :               0.00005581222147
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :               0.00005902356971
                   +0 :               0.00016768121631
                   +1 :               0.00018624562078
                   +2 :              -0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :               0.00001983821299
                   +0 :              -0.00002016167208
                   +1 :              -0.00008843535406
                   +2 :               0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :              -0.00003087067859
                   +1 :               0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :              -0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :               0.00005244608015
                   +1 :              -0.00006799674666
                   +2 :              -0.00018554806550
                   +3 :               0.00012674618846
             33 vec=    14.292755      7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :               0.00003703098104
                   +0 :              -0.00001021296756
                   +1 :              -0.00005581222147
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :               0.00005902356971
                   +0 :              -0.00016768121631
                   +1 :              -0.00018624562078
                   +2 :               0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :               0.00001983821299
                   +0 :               0.00002016167208
                   +1 :               0.00008843535406
                   +2 :              -0.00010138405863
                6p
                   -1 :               0.00003806824453
                   +0 :               0.00003087067859
                   +1 :              -0.00013217137715
                4f
                   -3 :              -0.00007163611924
                   -2 :              -0.00002473436885
                   -1 :              -0.00000139018307
                   +0 :              -0.00005244608015
                   +1 :               0.00006799674666
                   +2 :               0.00018554806550
                   +3 :              -0.00012674618846
             34 vec=   -10.719566    -10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :              -0.00003176316408
                   +1 :              -0.00001784522614
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :               0.00006563698457
                   +0 :               0.00005710908902
                   +1 :               0.00000645898121
                   +2 :               0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :              -0.00003147497634
                   +0 :              -0.00002749191816
                   +1 :              -0.00006353251969
                   +2 :              -0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :               0.00002158658554
                   +1 :               0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :              -0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :               0.00002582654159
                   +1 :              -0.00005325970660
                   +2 :              -0.00003542040258
                   +3 :               0.00016672000716
             35 vec=   -10.719566     10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :               0.00003176316408
                   +1 :               0.00001784522614
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :               0.00006563698457
                   +0 :              -0.00005710908902
                   +1 :              -0.00000645898121
                   +2 :              -0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :              -0.00003147497634
                   +0 :               0.00002749191816
                   +1 :               0.00006353251969
                   +2 :               0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :              -0.00002158658554
                   +1 :              -0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :              -0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :              -0.00002582654159
                   +1 :               0.00005325970660
                   +2 :               0.00003542040258
                   +3 :              -0.00016672000716
             36 vec=    10.719566    -10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :              -0.00003176316408
                   +1 :               0.00001784522614
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :               0.00006563698457
                   +0 :               0.00005710908902
                   +1 :              -0.00000645898121
                   +2 :               0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :              -0.00003147497634
                   +0 :              -0.00002749191816
                   +1 :               0.00006353251969
                   +2 :              -0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :               0.00002158658554
                   +1 :              -0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :               0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :               0.00002582654159
                   +1 :               0.00005325970660
                   +2 :              -0.00003542040258
                   +3 :              -0.00016672000716
             37 vec=    10.719566     10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :              -0.00004815290125
                   +0 :               0.00003176316408
                   +1 :              -0.00001784522614
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :               0.00006563698457
                   +0 :              -0.00005710908902
                   +1 :               0.00000645898121
                   +2 :              -0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :              -0.00003147497634
                   +0 :               0.00002749191816
                   +1 :              -0.00006353251969
                   +2 :               0.00000691475844
                6p
                   -1 :               0.00001561075493
                   +0 :              -0.00002158658554
                   +1 :               0.00000161281955
                4f
                   -3 :              -0.00000310559823
                   -2 :               0.00001896871303
                   -1 :              -0.00004349454178
                   +0 :              -0.00002582654159
                   +1 :              -0.00005325970660
                   +2 :               0.00003542040258
                   +3 :               0.00016672000716
             38 vec=    -3.573189     -3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :              -0.00014533634753
                   +1 :               0.00008976458596
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :              -0.00000123796509
                   +0 :               0.00024682303584
                   +1 :              -0.00020898222859
                   +2 :              -0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :              -0.00005710446136
                   +0 :              -0.00018821339040
                   +1 :               0.00007379173922
                   +2 :               0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :               0.00006117924528
                   +1 :              -0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :               0.00001870264096
                   -1 :               0.00000072993363
                   +0 :               0.00002027663874
                   +1 :              -0.00002115570034
                   +2 :              -0.00001482938036
                   +3 :               0.00000019253933
             39 vec=    -3.573189      3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :               0.00014533634753
                   +1 :              -0.00008976458596
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :              -0.00000123796509
                   +0 :              -0.00024682303584
                   +1 :               0.00020898222859
                   +2 :               0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :              -0.00005710446136
                   +0 :               0.00018821339040
                   +1 :              -0.00007379173922
                   +2 :              -0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :              -0.00006117924528
                   +1 :               0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :               0.00001870264096
                   -1 :               0.00000072993363
                   +0 :              -0.00002027663874
                   +1 :               0.00002115570034
                   +2 :               0.00001482938036
                   +3 :              -0.00000019253933
             40 vec=     3.573189     -3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :              -0.00014533634753
                   +1 :              -0.00008976458596
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :              -0.00000123796509
                   +0 :               0.00024682303584
                   +1 :               0.00020898222859
                   +2 :              -0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :              -0.00005710446136
                   +0 :              -0.00018821339040
                   +1 :              -0.00007379173922
                   +2 :               0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :               0.00006117924528
                   +1 :               0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :              -0.00001870264096
                   -1 :               0.00000072993363
                   +0 :               0.00002027663874
                   +1 :               0.00002115570034
                   +2 :              -0.00001482938036
                   +3 :              -0.00000019253933
             41 vec=     3.573189      3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :               0.00002360839837
                   +0 :               0.00014533634753
                   +1 :               0.00008976458596
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :              -0.00000123796509
                   +0 :              -0.00024682303584
                   +1 :              -0.00020898222859
                   +2 :               0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :              -0.00005710446136
                   +0 :               0.00018821339040
                   +1 :               0.00007379173922
                   +2 :              -0.00003336600327
                6p
                   -1 :              -0.00005503489882
                   +0 :              -0.00006117924528
                   +1 :              -0.00007073409934
                4f
                   -3 :              -0.00001006219202
                   -2 :              -0.00001870264096
                   -1 :               0.00000072993363
                   +0 :              -0.00002027663874
                   +1 :              -0.00002115570034
                   +2 :               0.00001482938036
                   +3 :               0.00000019253933
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site Cu(  3)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                3p
                   -1 :               0.00154920633673
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.01699948011712
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00423109465749
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.01281094992684
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00071247635536
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00113470050757
                   -1 :              -0.00256662905269
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00008152049477
                   -1 :               0.00015671132452
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00177912972407
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00011919601940
                3p
                   -1 :              -0.00018634064339
                   +0 :              -0.00033955613524
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00610130489386
                5s
                   +0 :              -0.00064426574966
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00276821179246
                   +0 :               0.00008437541586
                   +1 :               0.00000000000000
                   +2 :               0.00057999411520
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00033398569434
                   +0 :              -0.00002700670439
                   +1 :               0.00000000000000
                   +2 :              -0.00039242701153
                4p
                   -1 :              -0.00113154699925
                   +0 :              -0.00292397380679
                   +1 :               0.00000000000000
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00011919601940
                3p
                   -1 :              -0.00018634064339
                   +0 :               0.00033955613524
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00610130489386
                5s
                   +0 :               0.00064426574966
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00276821179246
                   +0 :              -0.00008437541586
                   +1 :              -0.00000000000000
                   +2 :              -0.00057999411520
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00033398569434
                   +0 :               0.00002700670439
                   +1 :               0.00000000000000
                   +2 :               0.00039242701153
                4p
                   -1 :              -0.00113154699925
                   +0 :               0.00292397380679
                   +1 :               0.00000000000000
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00071247635536
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00113470050757
                   -1 :              -0.00256662905269
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00008152049477
                   -1 :               0.00015671132452
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00177912972407
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :              -0.00005070653414
                   +1 :              -0.00067281332221
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :              -0.00230246937535
                   +0 :              -0.00131766148908
                   +1 :              -0.00125291215803
                   +2 :              -0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :              -0.00017223500809
                   +0 :              -0.00002812420616
                   +1 :              -0.00031915726635
                   +2 :              -0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :              -0.00016296441063
                   +1 :               0.00211095571023
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :               0.00005070653414
                   +1 :               0.00067281332221
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :              -0.00230246937535
                   +0 :               0.00131766148908
                   +1 :               0.00125291215803
                   +2 :               0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :              -0.00017223500809
                   +0 :               0.00002812420616
                   +1 :               0.00031915726635
                   +2 :               0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :               0.00016296441063
                   +1 :              -0.00211095571023
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :              -0.00005070653414
                   +1 :               0.00067281332221
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :              -0.00230246937535
                   +0 :              -0.00131766148908
                   +1 :               0.00125291215803
                   +2 :              -0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :              -0.00017223500809
                   +0 :              -0.00002812420616
                   +1 :               0.00031915726635
                   +2 :              -0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :              -0.00016296441063
                   +1 :              -0.00211095571023
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :              -0.00050739136822
                   +0 :               0.00005070653414
                   +1 :              -0.00067281332221
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :              -0.00230246937535
                   +0 :               0.00131766148908
                   +1 :              -0.00125291215803
                   +2 :               0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :              -0.00017223500809
                   +0 :               0.00002812420616
                   +1 :              -0.00031915726635
                   +2 :               0.00029019768710
                4p
                   -1 :               0.00107918021691
                   +0 :               0.00016296441063
                   +1 :               0.00211095571023
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :              -0.00028885568741
                   +1 :               0.00019887762691
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :              -0.00107440617868
                   +0 :               0.00100526363471
                   +1 :              -0.00240082574909
                   +2 :               0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :              -0.00046621922818
                   +0 :               0.00036748391435
                   +1 :              -0.00019642538137
                   +2 :              -0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :               0.00136244125457
                   +1 :              -0.00051664534082
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :               0.00028885568741
                   +1 :              -0.00019887762691
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :              -0.00107440617868
                   +0 :              -0.00100526363471
                   +1 :               0.00240082574909
                   +2 :              -0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :              -0.00046621922818
                   +0 :              -0.00036748391435
                   +1 :               0.00019642538137
                   +2 :               0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :              -0.00136244125457
                   +1 :               0.00051664534082
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :              -0.00028885568741
                   +1 :              -0.00019887762691
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :              -0.00107440617868
                   +0 :               0.00100526363471
                   +1 :               0.00240082574909
                   +2 :               0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :              -0.00046621922818
                   +0 :               0.00036748391435
                   +1 :               0.00019642538137
                   +2 :              -0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :               0.00136244125457
                   +1 :               0.00051664534082
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :               0.00055894286813
                   +0 :               0.00028885568741
                   +1 :               0.00019887762691
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :              -0.00107440617868
                   +0 :              -0.00100526363471
                   +1 :              -0.00240082574909
                   +2 :              -0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :              -0.00046621922818
                   +0 :              -0.00036748391435
                   +1 :              -0.00019642538137
                   +2 :               0.00021169365812
                4p
                   -1 :              -0.00128580211683
                   +0 :              -0.00136244125457
                   +1 :              -0.00051664534082
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :               0.00001243170610
                   +1 :              -0.00020085219989
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :              -0.00000922066118
                   +0 :              -0.00009747487988
                   +1 :              -0.00022220762080
                   +2 :               0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :               0.00000077908277
                   +0 :               0.00000513199327
                   +1 :              -0.00003306842578
                   +2 :              -0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :               0.00015521152237
                   +1 :               0.00030512505669
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :              -0.00001243170610
                   +1 :               0.00020085219989
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :              -0.00000922066118
                   +0 :               0.00009747487988
                   +1 :               0.00022220762080
                   +2 :              -0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :               0.00000077908277
                   +0 :              -0.00000513199327
                   +1 :               0.00003306842578
                   +2 :               0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :              -0.00015521152237
                   +1 :              -0.00030512505669
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :               0.00014922866345
                   +1 :               0.00012442379058
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :               0.00016897529233
                   +0 :               0.00006758510071
                   +1 :               0.00004742787416
                   +2 :               0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :              -0.00019328053161
                   +0 :              -0.00002282982624
                   +1 :               0.00003447286804
                   +2 :               0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :              -0.00006556867971
                   +1 :              -0.00017108780475
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :              -0.00014922866345
                   +1 :              -0.00012442379058
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :               0.00016897529233
                   +0 :              -0.00006758510071
                   +1 :              -0.00004742787416
                   +2 :              -0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :              -0.00019328053161
                   +0 :               0.00002282982624
                   +1 :              -0.00003447286804
                   +2 :              -0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :               0.00006556867971
                   +1 :               0.00017108780475
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :               0.00014922866345
                   +1 :              -0.00012442379058
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :               0.00016897529233
                   +0 :               0.00006758510071
                   +1 :              -0.00004742787416
                   +2 :               0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :              -0.00019328053161
                   +0 :              -0.00002282982624
                   +1 :              -0.00003447286804
                   +2 :               0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :              -0.00006556867971
                   +1 :               0.00017108780475
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :               0.00013953963385
                   +0 :              -0.00014922866345
                   +1 :               0.00012442379058
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :               0.00016897529233
                   +0 :              -0.00006758510071
                   +1 :               0.00004742787416
                   +2 :              -0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :              -0.00019328053161
                   +0 :               0.00002282982624
                   +1 :               0.00003447286804
                   +2 :              -0.00011411323106
                4p
                   -1 :              -0.00005767529106
                   +0 :               0.00006556867971
                   +1 :              -0.00017108780475
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :               0.00001243170610
                   +1 :               0.00020085219989
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :              -0.00000922066118
                   +0 :              -0.00009747487988
                   +1 :               0.00022220762080
                   +2 :               0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :               0.00000077908277
                   +0 :               0.00000513199327
                   +1 :               0.00003306842578
                   +2 :              -0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :               0.00015521152237
                   +1 :              -0.00030512505669
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :              -0.00001580242235
                   +0 :              -0.00001243170610
                   +1 :              -0.00020085219989
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :              -0.00000922066118
                   +0 :               0.00009747487988
                   +1 :              -0.00022220762080
                   +2 :              -0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :               0.00000077908277
                   +0 :              -0.00000513199327
                   +1 :              -0.00003306842578
                   +2 :               0.00003579849061
                4p
                   -1 :               0.00006889036901
                   +0 :              -0.00015521152237
                   +1 :               0.00030512505669
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00001128356712
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00011220193478
                   -1 :               0.00003574631421
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00005482291506
                   -1 :              -0.00001833636026
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00021960517224
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00014225101179
                3p
                   -1 :              -0.00015707250399
                   +0 :              -0.00005462838298
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000399436066
                5s
                   +0 :               0.00009075974509
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00012182963132
                   +0 :              -0.00005104766117
                   +1 :               0.00000000000000
                   +2 :              -0.00038709247160
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001949253423
                   +0 :               0.00002860307136
                   +1 :               0.00000000000000
                   +2 :               0.00002678994363
                4p
                   -1 :               0.00010129675204
                   +0 :               0.00018193858482
                   +1 :               0.00000000000000
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00014225101179
                3p
                   -1 :              -0.00015707250399
                   +0 :               0.00005462838298
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00000399436066
                5s
                   +0 :              -0.00009075974509
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00012182963132
                   +0 :               0.00005104766117
                   +1 :               0.00000000000000
                   +2 :               0.00038709247160
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00001949253423
                   +0 :              -0.00002860307136
                   +1 :               0.00000000000000
                   +2 :              -0.00002678994363
                4p
                   -1 :               0.00010129675204
                   +0 :              -0.00018193858482
                   +1 :               0.00000000000000
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00001128356712
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00011220193478
                   -1 :               0.00003574631421
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00005482291506
                   -1 :              -0.00001833636026
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00021960517224
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :              -0.00002295997326
                   +1 :               0.00000332716300
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :              -0.00003875055170
                   +0 :              -0.00000826667793
                   +1 :              -0.00001088249042
                   +2 :               0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :              -0.00001790036825
                   +0 :              -0.00001958990877
                   +1 :              -0.00003257296674
                   +2 :               0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :               0.00002574616713
                   +1 :              -0.00005851222729
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :               0.00002295997326
                   +1 :              -0.00000332716300
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :              -0.00003875055170
                   +0 :               0.00000826667793
                   +1 :               0.00001088249042
                   +2 :              -0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :              -0.00001790036825
                   +0 :               0.00001958990877
                   +1 :               0.00003257296674
                   +2 :              -0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :              -0.00002574616713
                   +1 :               0.00005851222729
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :              -0.00005193217242
                   +1 :               0.00001801290427
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :               0.00001833886434
                   +0 :               0.00003192436203
                   +1 :              -0.00009569011579
                   +2 :               0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :               0.00001337244268
                   +0 :               0.00001475269599
                   +1 :              -0.00001171377959
                   +2 :               0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :               0.00011010285769
                   +1 :              -0.00004888607409
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :               0.00005193217242
                   +1 :              -0.00001801290427
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :               0.00001833886434
                   +0 :              -0.00003192436203
                   +1 :               0.00009569011579
                   +2 :              -0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :               0.00001337244268
                   +0 :              -0.00001475269599
                   +1 :               0.00001171377959
                   +2 :              -0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :              -0.00011010285769
                   +1 :               0.00004888607409
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :              -0.00005193217242
                   +1 :              -0.00001801290427
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :               0.00001833886434
                   +0 :               0.00003192436203
                   +1 :               0.00009569011579
                   +2 :               0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :               0.00001337244268
                   +0 :               0.00001475269599
                   +1 :               0.00001171377959
                   +2 :               0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :               0.00011010285769
                   +1 :               0.00004888607409
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :               0.00004112723163
                   +0 :               0.00005193217242
                   +1 :               0.00001801290427
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :               0.00001833886434
                   +0 :              -0.00003192436203
                   +1 :              -0.00009569011579
                   +2 :              -0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :               0.00001337244268
                   +0 :              -0.00001475269599
                   +1 :              -0.00001171377959
                   +2 :              -0.00002912522546
                4p
                   -1 :              -0.00001548322505
                   +0 :              -0.00011010285769
                   +1 :              -0.00004888607409
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :              -0.00002295997326
                   +1 :              -0.00000332716300
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :              -0.00003875055170
                   +0 :              -0.00000826667793
                   +1 :               0.00001088249042
                   +2 :               0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :              -0.00001790036825
                   +0 :              -0.00001958990877
                   +1 :               0.00003257296674
                   +2 :               0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :               0.00002574616713
                   +1 :               0.00005851222729
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :               0.00000671655690
                   +0 :               0.00002295997326
                   +1 :               0.00000332716300
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :              -0.00003875055170
                   +0 :               0.00000826667793
                   +1 :              -0.00001088249042
                   +2 :              -0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :              -0.00001790036825
                   +0 :               0.00001958990877
                   +1 :              -0.00003257296674
                   +2 :              -0.00001681378650
                4p
                   -1 :               0.00006567030106
                   +0 :              -0.00002574616713
                   +1 :              -0.00005851222729
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :               0.00005014407229
                   +1 :               0.00005162706053
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :               0.00008200054857
                   +0 :               0.00009567853838
                   +1 :               0.00005778624528
                   +2 :              -0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :              -0.00002147941039
                   +0 :               0.00003433741397
                   +1 :              -0.00000487158575
                   +2 :               0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :              -0.00018033655188
                   +1 :               0.00001771875092
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :              -0.00005014407229
                   +1 :              -0.00005162706053
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :               0.00008200054857
                   +0 :              -0.00009567853838
                   +1 :              -0.00005778624528
                   +2 :               0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :              -0.00002147941039
                   +0 :              -0.00003433741397
                   +1 :               0.00000487158575
                   +2 :              -0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :               0.00018033655188
                   +1 :              -0.00001771875092
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :               0.00005014407229
                   +1 :              -0.00005162706053
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :               0.00008200054857
                   +0 :               0.00009567853838
                   +1 :              -0.00005778624528
                   +2 :              -0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :              -0.00002147941039
                   +0 :               0.00003433741397
                   +1 :               0.00000487158575
                   +2 :               0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :              -0.00018033655188
                   +1 :              -0.00001771875092
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :               0.00001416803663
                   +0 :              -0.00005014407229
                   +1 :               0.00005162706053
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :               0.00008200054857
                   +0 :              -0.00009567853838
                   +1 :               0.00005778624528
                   +2 :               0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :              -0.00002147941039
                   +0 :              -0.00003433741397
                   +1 :              -0.00000487158575
                   +2 :              -0.00000445427450
                4p
                   -1 :              -0.00001954482637
                   +0 :               0.00018033655188
                   +1 :               0.00001771875092
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :              -0.00002477516106
                   +1 :               0.00001461872234
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :              -0.00002775880446
                   +0 :              -0.00003710711488
                   +1 :              -0.00004272982252
                   +2 :               0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :              -0.00000313788009
                   +0 :              -0.00000516799713
                   +1 :              -0.00000966681414
                   +2 :               0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :               0.00004703958297
                   +1 :              -0.00003555957241
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :               0.00002477516106
                   +1 :              -0.00001461872234
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :              -0.00002775880446
                   +0 :               0.00003710711488
                   +1 :               0.00004272982252
                   +2 :              -0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :              -0.00000313788009
                   +0 :               0.00000516799713
                   +1 :               0.00000966681414
                   +2 :              -0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :              -0.00004703958297
                   +1 :               0.00003555957241
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :              -0.00002477516106
                   +1 :              -0.00001461872234
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :              -0.00002775880446
                   +0 :              -0.00003710711488
                   +1 :               0.00004272982252
                   +2 :               0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :              -0.00000313788009
                   +0 :              -0.00000516799713
                   +1 :               0.00000966681414
                   +2 :               0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :               0.00004703958297
                   +1 :               0.00003555957241
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :               0.00000113003252
                   +0 :               0.00002477516106
                   +1 :               0.00001461872234
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :              -0.00002775880446
                   +0 :               0.00003710711488
                   +1 :              -0.00004272982252
                   +2 :              -0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :              -0.00000313788009
                   +0 :               0.00000516799713
                   +1 :              -0.00000966681414
                   +2 :              -0.00000372104151
                4p
                   -1 :              -0.00000092198055
                   +0 :              -0.00004703958297
                   +1 :              -0.00003555957241
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site O (  4)  npairs=  34
              1 vec=     0.000000     -3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00093071058077
                2s
                   +0 :              -0.01701167207723
                3s
                   +0 :               0.00279896943208
                2p
                   -1 :               0.01373950483642
                   +0 :              -0.01379435243312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00115494900623
                   +0 :               0.00181694106225
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00091390587105
                   +0 :              -0.00114406835784
                   +1 :              -0.00000000000000
                   +2 :               0.00052865716028
              2 vec=     0.000000      3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00093071058077
                2s
                   +0 :               0.01701167207723
                3s
                   +0 :              -0.00279896943208
                2p
                   -1 :               0.01373950483642
                   +0 :               0.01379435243312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00115494900623
                   +0 :              -0.00181694106225
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00091390587105
                   +0 :               0.00114406835784
                   +1 :              -0.00000000000000
                   +2 :              -0.00052865716028
              3 vec=    -3.573189      0.000000     -7.951565   |vec|=    8.717515
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00357699209751
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00012931208798
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000211070884
                   -1 :              -0.00004182238433
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              4 vec=     3.573189      0.000000     -7.951565   |vec|=    8.717515
                2p
                   -1 :               0.00357699209751
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00012931208798
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000211070884
                   -1 :              -0.00004182238433
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              5 vec=    -7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :              -0.01281979065218
                   +1 :               0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :               0.00445075411106
                   +1 :              -0.00317502748974
                3d
                   -2 :               0.00012920790247
                   -1 :              -0.00014585919591
                   +0 :              -0.00016792428209
                   +1 :              -0.00026722615049
                   +2 :               0.00004025115825
              6 vec=    -7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :               0.01281979065218
                   +1 :              -0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :              -0.00445075411106
                   +1 :               0.00317502748974
                3d
                   -2 :               0.00012920790247
                   -1 :              -0.00014585919591
                   +0 :               0.00016792428209
                   +1 :               0.00026722615049
                   +2 :              -0.00004025115825
              7 vec=     7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :              -0.01281979065218
                   +1 :              -0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :               0.00445075411106
                   +1 :               0.00317502748974
                3d
                   -2 :              -0.00012920790247
                   -1 :              -0.00014585919591
                   +0 :              -0.00016792428209
                   +1 :               0.00026722615049
                   +2 :               0.00004025115825
              8 vec=     7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :              -0.00225384527506
                   +0 :               0.01281979065218
                   +1 :               0.00796381283107
                3p
                   -1 :               0.00002653993704
                   +0 :              -0.00445075411106
                   +1 :              -0.00317502748974
                3d
                   -2 :              -0.00012920790247
                   -1 :              -0.00014585919591
                   +0 :               0.00016792428209
                   +1 :              -0.00026722615049
                   +2 :              -0.00004025115825
              9 vec=    -3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :               0.00047641393621
                   +1 :              -0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :              -0.00004638965332
                   +1 :               0.00015879148776
                3d
                   -2 :              -0.00006976186312
                   -1 :              -0.00012495331439
                   +0 :              -0.00008138307079
                   +1 :              -0.00002710564846
                   +2 :               0.00010710113360
             10 vec=    -3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :              -0.00047641393621
                   +1 :               0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :               0.00004638965332
                   +1 :              -0.00015879148776
                3d
                   -2 :              -0.00006976186312
                   -1 :              -0.00012495331439
                   +0 :               0.00008138307079
                   +1 :               0.00002710564846
                   +2 :              -0.00010710113360
             11 vec=     3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :               0.00047641393621
                   +1 :               0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :              -0.00004638965332
                   +1 :              -0.00015879148776
                3d
                   -2 :               0.00006976186312
                   -1 :              -0.00012495331439
                   +0 :              -0.00008138307079
                   +1 :               0.00002710564846
                   +2 :               0.00010710113360
             12 vec=     3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :               0.00043911761345
                   +0 :              -0.00047641393621
                   +1 :              -0.00076807959615
                3p
                   -1 :              -0.00067058081861
                   +0 :               0.00004638965332
                   +1 :               0.00015879148776
                3d
                   -2 :               0.00006976186312
                   -1 :              -0.00012495331439
                   +0 :               0.00008138307079
                   +1 :              -0.00002710564846
                   +2 :              -0.00010710113360
             13 vec=     0.000000    -10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00011672688634
                2s
                   +0 :              -0.00112071275944
                3s
                   +0 :               0.00017188173409
                2p
                   -1 :               0.00235957554586
                   +0 :              -0.00004331150449
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00070211656570
                   +0 :              -0.00016098126458
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00002919245033
                   +0 :               0.00004408155268
                   +1 :               0.00000000000000
                   +2 :               0.00000063250030
             14 vec=     0.000000     10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00011672688634
                2s
                   +0 :               0.00112071275944
                3s
                   +0 :              -0.00017188173409
                2p
                   -1 :               0.00235957554586
                   +0 :               0.00004331150449
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00070211656570
                   +0 :               0.00016098126458
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00002919245033
                   +0 :              -0.00004408155268
                   +1 :               0.00000000000000
                   +2 :              -0.00000063250030
             15 vec=   -10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00026520618869
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011866445553
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000540664290
                   -1 :               0.00000162387991
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             16 vec=    10.719566      0.000000     -7.951565   |vec|=   13.346778
                2p
                   -1 :              -0.00026520618869
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00011866445553
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00000540664290
                   -1 :               0.00000162387991
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
             17 vec=    -7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :              -0.00034348541980
                   +1 :               0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :               0.00010998601363
                   +1 :              -0.00017646046578
                3d
                   -2 :               0.00000826834008
                   -1 :              -0.00000736901790
                   +0 :               0.00001887715854
                   +1 :              -0.00001077973966
                   +2 :               0.00001932751174
             18 vec=    -7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :               0.00034348541980
                   +1 :              -0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :              -0.00010998601363
                   +1 :               0.00017646046578
                3d
                   -2 :               0.00000826834008
                   -1 :              -0.00000736901790
                   +0 :              -0.00001887715854
                   +1 :               0.00001077973966
                   +2 :              -0.00001932751174
             19 vec=     7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :              -0.00034348541980
                   +1 :              -0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :               0.00010998601363
                   +1 :               0.00017646046578
                3d
                   -2 :              -0.00000826834008
                   -1 :              -0.00000736901790
                   +0 :               0.00001887715854
                   +1 :               0.00001077973966
                   +2 :               0.00001932751174
             20 vec=     7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :              -0.00060167319198
                   +0 :               0.00034348541980
                   +1 :               0.00033979474408
                3p
                   -1 :               0.00040092903908
                   +0 :              -0.00010998601363
                   +1 :              -0.00017646046578
                3d
                   -2 :              -0.00000826834008
                   -1 :              -0.00000736901790
                   +0 :              -0.00001887715854
                   +1 :              -0.00001077973966
                   +2 :              -0.00001932751174
             21 vec=   -10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :               0.00044975539209
                   +1 :               0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :              -0.00019320312622
                   +1 :              -0.00010223816293
                3d
                   -2 :              -0.00000076369417
                   -1 :              -0.00000438440998
                   +0 :               0.00000432867283
                   +1 :               0.00001377500994
                   +2 :               0.00001844808369
             22 vec=   -10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :              -0.00044975539209
                   +1 :              -0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :               0.00019320312622
                   +1 :               0.00010223816293
                3d
                   -2 :              -0.00000076369417
                   -1 :              -0.00000438440998
                   +0 :              -0.00000432867283
                   +1 :              -0.00001377500994
                   +2 :              -0.00001844808369
             23 vec=    10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :               0.00044975539209
                   +1 :              -0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :              -0.00019320312622
                   +1 :               0.00010223816293
                3d
                   -2 :               0.00000076369417
                   -1 :              -0.00000438440998
                   +0 :               0.00000432867283
                   +1 :              -0.00001377500994
                   +2 :               0.00001844808369
             24 vec=    10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :               0.00011808261436
                   +0 :              -0.00044975539209
                   +1 :               0.00040695879192
                3p
                   -1 :              -0.00008167062565
                   +0 :               0.00019320312622
                   +1 :              -0.00010223816293
                3d
                   -2 :               0.00000076369417
                   -1 :              -0.00000438440998
                   +0 :              -0.00000432867283
                   +1 :               0.00001377500994
                   +2 :              -0.00001844808369
             25 vec=   -14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :              -0.00030117194110
                   +1 :              -0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :               0.00000613549132
                   +1 :               0.00015870897434
                3d
                   -2 :               0.00001085160594
                   -1 :              -0.00000286685734
                   +0 :               0.00002450514332
                   +1 :               0.00001069365051
                   +2 :              -0.00001702155660
             26 vec=   -14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :               0.00030117194110
                   +1 :               0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :              -0.00000613549132
                   +1 :              -0.00015870897434
                3d
                   -2 :               0.00001085160594
                   -1 :              -0.00000286685734
                   +0 :              -0.00002450514332
                   +1 :              -0.00001069365051
                   +2 :               0.00001702155660
             27 vec=    14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :              -0.00030117194110
                   +1 :               0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :               0.00000613549132
                   +1 :              -0.00015870897434
                3d
                   -2 :              -0.00001085160594
                   -1 :              -0.00000286685734
                   +0 :               0.00002450514332
                   +1 :              -0.00001069365051
                   +2 :              -0.00001702155660
             28 vec=    14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :              -0.00010319352726
                   +0 :               0.00030117194110
                   +1 :              -0.00012957843139
                3p
                   -1 :               0.00001899752362
                   +0 :              -0.00000613549132
                   +1 :               0.00015870897434
                3d
                   -2 :              -0.00001085160594
                   -1 :              -0.00000286685734
                   +0 :              -0.00002450514332
                   +1 :               0.00001069365051
                   +2 :               0.00001702155660
             29 vec=    -3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :               0.00029503719517
                   +1 :               0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :              -0.00014853165678
                   +1 :              -0.00003455919217
                3d
                   -2 :               0.00002226969539
                   -1 :               0.00001589972659
                   +0 :              -0.00002317475300
                   +1 :               0.00002119981831
                   +2 :              -0.00000944760039
             30 vec=    -3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :              -0.00029503719517
                   +1 :              -0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :               0.00014853165678
                   +1 :               0.00003455919217
                3d
                   -2 :               0.00002226969539
                   -1 :               0.00001589972659
                   +0 :               0.00002317475300
                   +1 :              -0.00002119981831
                   +2 :               0.00000944760039
             31 vec=     3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :               0.00029503719517
                   +1 :              -0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :              -0.00014853165678
                   +1 :               0.00003455919217
                3d
                   -2 :              -0.00002226969539
                   -1 :               0.00001589972659
                   +0 :              -0.00002317475300
                   +1 :              -0.00002119981831
                   +2 :              -0.00000944760039
             32 vec=     3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :              -0.00012881218488
                   +0 :              -0.00029503719517
                   +1 :               0.00008861802738
                3p
                   -1 :               0.00019544511755
                   +0 :               0.00014853165678
                   +1 :              -0.00003455919217
                3d
                   -2 :              -0.00002226969539
                   -1 :               0.00001589972659
                   +0 :               0.00002317475300
                   +1 :               0.00002119981831
                   +2 :               0.00000944760039
             33 vec=    -3.573189      0.000000     17.084849   |vec|=   17.454505
                2p
                   -1 :              -0.00013997638516
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007336307871
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000038355124
                   -1 :               0.00000136238916
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             34 vec=     3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00013997638516
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00007336307871
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000038355124
                   -1 :               0.00000136238916
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site O (  5)  npairs=  34
              1 vec=    -3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00620537697724
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00006630591043
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00003499719819
                   -1 :               0.00037776972759
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=     3.573189      0.000000      4.566642   |vec|=    5.798439
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00620537697724
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00006630591043
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00003499719819
                   -1 :               0.00037776972759
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00049131754124
                2s
                   +0 :               0.01543436570516
                3s
                   +0 :              -0.00375572504222
                2p
                   -1 :              -0.01275900596672
                   +0 :              -0.01496992927231
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00649454124432
                   +0 :               0.00513878456585
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00047605724739
                   +0 :               0.00023349789824
                   +1 :               0.00000000000000
                   +2 :               0.00031532922889
              4 vec=     0.000000      3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00049131754124
                2s
                   +0 :              -0.01543436570516
                3s
                   +0 :               0.00375572504222
                2p
                   -1 :              -0.01275900596672
                   +0 :               0.01496992927231
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00649454124432
                   +0 :              -0.00513878456585
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00047605724739
                   +0 :              -0.00023349789824
                   +1 :               0.00000000000000
                   +2 :              -0.00031532922889
              5 vec=    -3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :              -0.00113126291213
                   +1 :              -0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :              -0.00070388959202
                   +1 :              -0.00045006021981
                3d
                   -2 :               0.00015855343359
                   -1 :               0.00024147724960
                   +0 :              -0.00023256497942
                   +1 :              -0.00022378565128
                   +2 :              -0.00005030750934
              6 vec=    -3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :               0.00113126291213
                   +1 :               0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :               0.00070388959202
                   +1 :               0.00045006021981
                3d
                   -2 :               0.00015855343359
                   -1 :               0.00024147724960
                   +0 :               0.00023256497942
                   +1 :               0.00022378565128
                   +2 :               0.00005030750934
              7 vec=     3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :              -0.00113126291213
                   +1 :               0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :              -0.00070388959202
                   +1 :               0.00045006021981
                3d
                   -2 :              -0.00015855343359
                   -1 :               0.00024147724960
                   +0 :              -0.00023256497942
                   +1 :               0.00022378565128
                   +2 :              -0.00005030750934
              8 vec=     3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :               0.00046418900201
                   +0 :               0.00113126291213
                   +1 :              -0.00204196705217
                3p
                   -1 :               0.00024388025439
                   +0 :               0.00070388959202
                   +1 :              -0.00045006021981
                3d
                   -2 :              -0.00015855343359
                   -1 :               0.00024147724960
                   +0 :               0.00023256497942
                   +1 :              -0.00022378565128
                   +2 :               0.00005030750934
              9 vec=    -7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :               0.00040553962983
                   +1 :               0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :               0.00016840829518
                   +1 :              -0.00133232808187
                3d
                   -2 :              -0.00001976313620
                   -1 :              -0.00006123831790
                   +0 :              -0.00005356738861
                   +1 :              -0.00004224765630
                   +2 :              -0.00000439015935
             10 vec=    -7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :              -0.00040553962983
                   +1 :              -0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :              -0.00016840829518
                   +1 :               0.00133232808187
                3d
                   -2 :              -0.00001976313620
                   -1 :              -0.00006123831790
                   +0 :               0.00005356738861
                   +1 :               0.00004224765630
                   +2 :               0.00000439015935
             11 vec=     7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :               0.00040553962983
                   +1 :              -0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :               0.00016840829518
                   +1 :               0.00133232808187
                3d
                   -2 :               0.00001976313620
                   -1 :              -0.00006123831790
                   +0 :              -0.00005356738861
                   +1 :               0.00004224765630
                   +2 :              -0.00000439015935
             12 vec=     7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :              -0.00039013415075
                   +0 :              -0.00040553962983
                   +1 :               0.00262526179364
                3p
                   -1 :               0.00029951358684
                   +0 :              -0.00016840829518
                   +1 :              -0.00133232808187
                3d
                   -2 :               0.00001976313620
                   -1 :              -0.00006123831790
                   +0 :               0.00005356738861
                   +1 :              -0.00004224765630
                   +2 :               0.00000439015935
             13 vec=   -10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00137336590141
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00045283781187
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000059055594
                   -1 :               0.00009335496487
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
             14 vec=    10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00137336590141
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00045283781187
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000059055594
                   -1 :               0.00009335496487
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
             15 vec=    -0.000000    -10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00004631380692
                2s
                   +0 :              -0.00149947513671
                3s
                   +0 :               0.00146603844224
                2p
                   -1 :               0.00300613810221
                   +0 :               0.00250211773312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00265643390020
                   +0 :              -0.00235002135198
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00045357245360
                   +0 :               0.00008841384282
                   +1 :              -0.00000000000000
                   +2 :              -0.00020196175292
             16 vec=     0.000000     10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00004631380692
                2s
                   +0 :               0.00149947513671
                3s
                   +0 :              -0.00146603844224
                2p
                   -1 :               0.00300613810221
                   +0 :              -0.00250211773312
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00265643390020
                   +0 :               0.00235002135198
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00045357245360
                   +0 :              -0.00008841384282
                   +1 :              -0.00000000000000
                   +2 :               0.00020196175292
             17 vec=   -10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :              -0.00041411656765
                   +1 :              -0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :               0.00022232151057
                   +1 :               0.00027161907082
                3d
                   -2 :               0.00004069290485
                   -1 :              -0.00004055083662
                   +0 :              -0.00002164727194
                   +1 :              -0.00005239455742
                   +2 :               0.00001623312766
             18 vec=   -10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :               0.00041411656765
                   +1 :               0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :              -0.00022232151057
                   +1 :              -0.00027161907082
                3d
                   -2 :               0.00004069290485
                   -1 :              -0.00004055083662
                   +0 :               0.00002164727194
                   +1 :               0.00005239455742
                   +2 :              -0.00001623312766
             19 vec=    10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :              -0.00041411656765
                   +1 :               0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :               0.00022232151057
                   +1 :              -0.00027161907082
                3d
                   -2 :              -0.00004069290485
                   -1 :              -0.00004055083662
                   +0 :              -0.00002164727194
                   +1 :               0.00005239455742
                   +2 :               0.00001623312766
             20 vec=    10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :               0.00052878219333
                   +0 :               0.00041411656765
                   +1 :              -0.00012730230252
                3p
                   -1 :              -0.00021584869456
                   +0 :              -0.00022232151057
                   +1 :               0.00027161907082
                3d
                   -2 :              -0.00004069290485
                   -1 :              -0.00004055083662
                   +0 :               0.00002164727194
                   +1 :              -0.00005239455742
                   +2 :              -0.00001623312766
             21 vec=    -7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :               0.00049755459408
                   +1 :              -0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :              -0.00036600262495
                   +1 :               0.00017463507581
                3d
                   -2 :               0.00001920190065
                   -1 :               0.00005985846111
                   +0 :               0.00001256045053
                   +1 :               0.00000398453574
                   +2 :              -0.00001965855691
             22 vec=    -7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :              -0.00049755459408
                   +1 :               0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :               0.00036600262495
                   +1 :              -0.00017463507581
                3d
                   -2 :               0.00001920190065
                   -1 :               0.00005985846111
                   +0 :              -0.00001256045053
                   +1 :              -0.00000398453574
                   +2 :               0.00001965855691
             23 vec=     7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :               0.00049755459408
                   +1 :               0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :              -0.00036600262495
                   +1 :              -0.00017463507581
                3d
                   -2 :              -0.00001920190065
                   -1 :               0.00005985846111
                   +0 :               0.00001256045053
                   +1 :              -0.00000398453574
                   +2 :              -0.00001965855691
             24 vec=     7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :               0.00039853474869
                   +0 :              -0.00049755459408
                   +1 :              -0.00053565094372
                3p
                   -1 :              -0.00029695271574
                   +0 :               0.00036600262495
                   +1 :               0.00017463507581
                3d
                   -2 :              -0.00001920190065
                   -1 :               0.00005985846111
                   +0 :              -0.00001256045053
                   +1 :               0.00000398453574
                   +2 :               0.00001965855691
             25 vec=    -3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :              -0.00050725286967
                   +1 :               0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :               0.00038334045778
                   +1 :              -0.00002090461819
                3d
                   -2 :              -0.00000196109427
                   -1 :              -0.00003622466942
                   +0 :               0.00002131352744
                   +1 :               0.00000311786539
                   +2 :              -0.00001680306033
             26 vec=    -3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :               0.00050725286967
                   +1 :              -0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :              -0.00038334045778
                   +1 :               0.00002090461819
                3d
                   -2 :              -0.00000196109427
                   -1 :              -0.00003622466942
                   +0 :              -0.00002131352744
                   +1 :              -0.00000311786539
                   +2 :               0.00001680306033
             27 vec=     3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :              -0.00050725286967
                   +1 :              -0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :               0.00038334045778
                   +1 :               0.00002090461819
                3d
                   -2 :               0.00000196109427
                   -1 :              -0.00003622466942
                   +0 :               0.00002131352744
                   +1 :              -0.00000311786539
                   +2 :              -0.00001680306033
             28 vec=     3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :               0.00035903318304
                   +0 :               0.00050725286967
                   +1 :               0.00024239224460
                3p
                   -1 :              -0.00019469902196
                   +0 :              -0.00038334045778
                   +1 :              -0.00002090461819
                3d
                   -2 :               0.00000196109427
                   -1 :              -0.00003622466942
                   +0 :              -0.00002131352744
                   +1 :               0.00000311786539
                   +2 :               0.00001680306033
             29 vec=   -14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :              -0.00002564163173
                   +1 :               0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :              -0.00000698889704
                   +1 :              -0.00011491072231
                3d
                   -2 :               0.00000101880719
                   -1 :              -0.00000362974287
                   +0 :               0.00000116988171
                   +1 :               0.00000179727916
                   +2 :               0.00000342350985
             30 vec=   -14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :               0.00002564163173
                   +1 :              -0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :               0.00000698889704
                   +1 :               0.00011491072231
                3d
                   -2 :               0.00000101880719
                   -1 :              -0.00000362974287
                   +0 :              -0.00000116988171
                   +1 :              -0.00000179727916
                   +2 :              -0.00000342350985
             31 vec=    14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :              -0.00002564163173
                   +1 :              -0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :              -0.00000698889704
                   +1 :               0.00011491072231
                3d
                   -2 :              -0.00000101880719
                   -1 :              -0.00000362974287
                   +0 :               0.00000116988171
                   +1 :              -0.00000179727916
                   +2 :               0.00000342350985
             32 vec=    14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :              -0.00003292218734
                   +0 :               0.00002564163173
                   +1 :               0.00017733438523
                3p
                   -1 :               0.00000579547566
                   +0 :               0.00000698889704
                   +1 :              -0.00011491072231
                3d
                   -2 :              -0.00000101880719
                   -1 :              -0.00000362974287
                   +0 :              -0.00000116988171
                   +1 :               0.00000179727916
                   +2 :              -0.00000342350985
             33 vec=     0.000000     -3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002850852446
                2s
                   +0 :              -0.00036362627643
                3s
                   +0 :               0.00014113516485
                2p
                   -1 :              -0.00006645599236
                   +0 :              -0.00023663508609
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00003601807712
                   +0 :               0.00011148625366
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000806752038
                   +0 :               0.00000287101926
                   +1 :              -0.00000000000000
                   +2 :              -0.00000199783724
             34 vec=     0.000000      3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002850852446
                2s
                   +0 :               0.00036362627643
                3s
                   +0 :              -0.00014113516485
                2p
                   -1 :              -0.00006645599236
                   +0 :               0.00023663508609
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00003601807712
                   +0 :              -0.00011148625366
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000806752038
                   +0 :              -0.00000287101926
                   +1 :               0.00000000000000
                   +2 :               0.00000199783724
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site O (  6)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :               0.00357213104008
                   +1 :               0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :               0.00182636760781
                   +1 :              -0.00270198006745
                3d
                   -2 :              -0.00037089460229
                   -1 :              -0.00054333311496
                   +0 :               0.00107417192705
                   +1 :              -0.00068165824141
                   +2 :              -0.00050762793104
              2 vec=    -3.573189      3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :              -0.00357213104008
                   +1 :              -0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :              -0.00182636760781
                   +1 :               0.00270198006745
                3d
                   -2 :              -0.00037089460229
                   -1 :              -0.00054333311496
                   +0 :              -0.00107417192705
                   +1 :               0.00068165824141
                   +2 :               0.00050762793104
              3 vec=     3.573189     -3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :               0.00357213104008
                   +1 :              -0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :               0.00182636760781
                   +1 :               0.00270198006745
                3d
                   -2 :               0.00037089460229
                   -1 :              -0.00054333311496
                   +0 :               0.00107417192705
                   +1 :               0.00068165824141
                   +2 :              -0.00050762793104
              4 vec=     3.573189      3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :               0.00799003029242
                   +0 :              -0.00357213104008
                   +1 :               0.01811629011008
                3p
                   -1 :              -0.00142303629377
                   +0 :              -0.00182636760781
                   +1 :              -0.00270198006745
                3d
                   -2 :               0.00037089460229
                   -1 :              -0.00054333311496
                   +0 :              -0.00107417192705
                   +1 :              -0.00068165824141
                   +2 :               0.00050762793104
              5 vec=     0.000000      0.000000      9.133284   |vec|=    9.133284
                2p
                   -1 :              -0.00152548743043
                3p
                   -1 :               0.00030703512699
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00016541369879
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              6 vec=    -7.146377      0.000000      9.133284   |vec|=   11.596878
                2p
                   -1 :              -0.00164850909627
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00021388529016
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00004020416405
                   -1 :              -0.00006691002967
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              7 vec=     0.000000     -7.146377      9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00013524117811
                2s
                   +0 :              -0.00235468339529
                3s
                   +0 :               0.00036743013505
                2p
                   -1 :               0.00124792683851
                   +0 :              -0.00316421371140
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00012866755442
                   +0 :               0.00044523642921
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00007968510605
                   +0 :              -0.00006977404356
                   +1 :               0.00000000000000
                   +2 :              -0.00001028314716
              8 vec=     0.000000      7.146377      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00013524117811
                2s
                   +0 :               0.00235468339529
                3s
                   +0 :              -0.00036743013505
                2p
                   -1 :               0.00124792683851
                   +0 :               0.00316421371140
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00012866755442
                   +0 :              -0.00044523642921
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00007968510605
                   +0 :               0.00006977404356
                   +1 :              -0.00000000000000
                   +2 :               0.00001028314716
              9 vec=     7.146377      0.000000      9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00164850909627
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00021388529016
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00004020416405
                   -1 :              -0.00006691002967
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             10 vec=   -10.719566     -3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :               0.00033514341966
                   +1 :               0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :              -0.00014258442106
                   +1 :               0.00010496229748
                3d
                   -2 :              -0.00004527118398
                   -1 :               0.00001649414875
                   +0 :               0.00004286822457
                   +1 :              -0.00002001787709
                   +2 :               0.00001474668708
             11 vec=   -10.719566      3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :              -0.00033514341966
                   +1 :              -0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :               0.00014258442106
                   +1 :              -0.00010496229748
                3d
                   -2 :              -0.00004527118398
                   -1 :               0.00001649414875
                   +0 :              -0.00004286822457
                   +1 :               0.00002001787709
                   +2 :              -0.00001474668708
             12 vec=    -3.573189    -10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :              -0.00041253166531
                   +1 :              -0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :               0.00039306021235
                   +1 :              -0.00008183457000
                3d
                   -2 :              -0.00002801986389
                   -1 :              -0.00003883995336
                   +0 :              -0.00001520011499
                   +1 :              -0.00000157924434
                   +2 :               0.00007135955994
             13 vec=    -3.573189     10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :               0.00041253166531
                   +1 :               0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :              -0.00039306021235
                   +1 :               0.00008183457000
                3d
                   -2 :              -0.00002801986389
                   -1 :              -0.00003883995336
                   +0 :               0.00001520011499
                   +1 :               0.00000157924434
                   +2 :              -0.00007135955994
             14 vec=     3.573189    -10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :              -0.00041253166531
                   +1 :               0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :               0.00039306021235
                   +1 :               0.00008183457000
                3d
                   -2 :               0.00002801986389
                   -1 :              -0.00003883995336
                   +0 :              -0.00001520011499
                   +1 :               0.00000157924434
                   +2 :               0.00007135955994
             15 vec=     3.573189     10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :              -0.00000261573091
                   +0 :               0.00041253166531
                   +1 :              -0.00001597874089
                3p
                   -1 :               0.00014269631755
                   +0 :              -0.00039306021235
                   +1 :              -0.00008183457000
                3d
                   -2 :               0.00002801986389
                   -1 :              -0.00003883995336
                   +0 :               0.00001520011499
                   +1 :              -0.00000157924434
                   +2 :              -0.00007135955994
             16 vec=    10.719566     -3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :               0.00033514341966
                   +1 :              -0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :              -0.00014258442106
                   +1 :              -0.00010496229748
                3d
                   -2 :               0.00004527118398
                   -1 :               0.00001649414875
                   +0 :               0.00004286822457
                   +1 :               0.00002001787709
                   +2 :               0.00001474668708
             17 vec=    10.719566      3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :              -0.00061983435528
                   +0 :              -0.00033514341966
                   +1 :               0.00002855816832
                3p
                   -1 :               0.00014073472774
                   +0 :               0.00014258442106
                   +1 :               0.00010496229748
                3d
                   -2 :               0.00004527118398
                   -1 :               0.00001649414875
                   +0 :              -0.00004286822457
                   +1 :              -0.00002001787709
                   +2 :              -0.00001474668708
             18 vec=    -7.146377     -7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :               0.00051035003439
                   +1 :               0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :              -0.00057533830049
                   +1 :              -0.00016503106517
                3d
                   -2 :               0.00000842569363
                   -1 :               0.00001969138335
                   +0 :              -0.00005023603258
                   +1 :              -0.00001416093278
                   +2 :               0.00000692114096
             19 vec=    -7.146377      7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :              -0.00051035003439
                   +1 :              -0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :               0.00057533830049
                   +1 :               0.00016503106517
                3d
                   -2 :               0.00000842569363
                   -1 :               0.00001969138335
                   +0 :               0.00005023603258
                   +1 :               0.00001416093278
                   +2 :              -0.00000692114096
             20 vec=     7.146377     -7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :               0.00051035003439
                   +1 :              -0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :              -0.00057533830049
                   +1 :               0.00016503106517
                3d
                   -2 :              -0.00000842569363
                   -1 :               0.00001969138335
                   +0 :              -0.00005023603258
                   +1 :               0.00001416093278
                   +2 :               0.00000692114096
             21 vec=     7.146377      7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :               0.00087893598658
                   +0 :              -0.00051035003439
                   +1 :               0.00059397648294
                3p
                   -1 :              -0.00014226198411
                   +0 :               0.00057533830049
                   +1 :              -0.00016503106517
                3d
                   -2 :              -0.00000842569363
                   -1 :               0.00001969138335
                   +0 :               0.00005023603258
                   +1 :              -0.00001416093278
                   +2 :              -0.00000692114096
             22 vec=   -10.719566    -10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :              -0.00015512320633
                   +1 :               0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :               0.00020997387855
                   +1 :              -0.00026035405424
                3d
                   -2 :               0.00000003444014
                   -1 :              -0.00004989160637
                   +0 :               0.00003083282364
                   +1 :              -0.00005653466864
                   +2 :               0.00002539720311
             23 vec=   -10.719566     10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :               0.00015512320633
                   +1 :              -0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :              -0.00020997387855
                   +1 :               0.00026035405424
                3d
                   -2 :               0.00000003444014
                   -1 :              -0.00004989160637
                   +0 :              -0.00003083282364
                   +1 :               0.00005653466864
                   +2 :              -0.00002539720311
             24 vec=    10.719566    -10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :              -0.00015512320633
                   +1 :              -0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :               0.00020997387855
                   +1 :               0.00026035405424
                3d
                   -2 :              -0.00000003444014
                   -1 :              -0.00004989160637
                   +0 :               0.00003083282364
                   +1 :               0.00005653466864
                   +2 :               0.00002539720311
             25 vec=    10.719566     10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :               0.00166251769264
                   +0 :               0.00015512320633
                   +1 :               0.00155904118862
                3p
                   -1 :              -0.00031867387322
                   +0 :              -0.00020997387855
                   +1 :              -0.00026035405424
                3d
                   -2 :              -0.00000003444014
                   -1 :              -0.00004989160637
                   +0 :              -0.00003083282364
                   +1 :              -0.00005653466864
                   +2 :              -0.00002539720311
             26 vec=     0.000000      0.000000    -15.903130   |vec|=   15.903130
                2p
                   -1 :              -0.00106519553694
                3p
                   -1 :               0.00074130063029
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00009736124028
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             27 vec=   -14.292755      0.000000      9.133284   |vec|=   16.961713
                2p
                   -1 :              -0.00061111239304
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00009993218954
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00003764000960
                   -1 :               0.00001476652743
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             28 vec=     0.000000    -14.292755      9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00001537867931
                2s
                   +0 :              -0.00031188733239
                3s
                   +0 :               0.00013753572505
                2p
                   -1 :               0.00020229960862
                   +0 :               0.00010479689033
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00018831952725
                   +0 :              -0.00011920441852
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00001449886128
                   +0 :              -0.00001023954382
                   +1 :               0.00000000000000
                   +2 :              -0.00002256792892
             29 vec=     0.000000     14.292755      9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00001537867931
                2s
                   +0 :               0.00031188733239
                3s
                   +0 :              -0.00013753572505
                2p
                   -1 :               0.00020229960862
                   +0 :              -0.00010479689033
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00018831952725
                   +0 :               0.00011920441852
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001449886128
                   +0 :               0.00001023954382
                   +1 :              -0.00000000000000
                   +2 :               0.00002256792892
             30 vec=    14.292755      0.000000      9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00061111239304
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00009993218954
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00003764000960
                   -1 :               0.00001476652743
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             31 vec=    -7.146377      0.000000    -15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00005363173041
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007029984125
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000988481964
                   -1 :              -0.00002164135707
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             32 vec=     0.000000     -7.146377    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00001577595854
                2s
                   +0 :              -0.00009763106442
                3s
                   +0 :               0.00017294139498
                2p
                   -1 :               0.00052680594657
                   +0 :              -0.00018096369276
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00001660310129
                   +0 :              -0.00022341053703
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00004112425818
                   +0 :               0.00003236264553
                   +1 :              -0.00000000000000
                   +2 :              -0.00000142720711
             33 vec=     0.000000      7.146377    -15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00001577595854
                2s
                   +0 :               0.00009763106442
                3s
                   +0 :              -0.00017294139498
                2p
                   -1 :               0.00052680594657
                   +0 :               0.00018096369276
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00001660310129
                   +0 :               0.00022341053703
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00004112425818
                   +0 :              -0.00003236264553
                   +1 :               0.00000000000000
                   +2 :               0.00000142720711
             34 vec=     7.146377      0.000000    -15.903130   |vec|=   17.435030
                2p
                   -1 :               0.00005363173041
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007029984125
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000988481964
                   -1 :              -0.00002164135707
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
WF             site_B          number of pairs
WF( 15)=[O 2p-1]  to site O (  7)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                2p
                   -1 :               0.90226630595162
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.08473496410683
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00397415257071
                   +1 :               0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00138153115105
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00078726834708
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00020680682663
                   -1 :               0.00008046800739
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00007419262405
                2s
                   +0 :              -0.00151270210835
                3s
                   +0 :               0.00125461950399
                2p
                   -1 :               0.00976655341709
                   +0 :              -0.00444214756564
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00088364248672
                   +0 :               0.00063388193839
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00009493102395
                   +0 :               0.00031565276228
                   +1 :              -0.00000000000000
                   +2 :               0.00072904545160
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00007419262405
                2s
                   +0 :               0.00151270210835
                3s
                   +0 :              -0.00125461950399
                2p
                   -1 :               0.00976655341709
                   +0 :               0.00444214756564
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00088364248672
                   +0 :              -0.00063388193839
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00009493102395
                   +0 :              -0.00031565276228
                   +1 :              -0.00000000000000
                   +2 :              -0.00072904545160
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                2p
                   -1 :              -0.00138153115105
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00078726834708
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00020680682663
                   -1 :               0.00008046800739
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :               0.00544086303785
                   +1 :               0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :              -0.00105560627792
                   +1 :              -0.00072231956070
                3d
                   -2 :              -0.00023523258788
                   -1 :              -0.00019601782366
                   +0 :               0.00005887903441
                   +1 :              -0.00016349850541
                   +2 :              -0.00001039905780
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :              -0.00544086303785
                   +1 :              -0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :               0.00105560627792
                   +1 :               0.00072231956070
                3d
                   -2 :              -0.00023523258788
                   -1 :              -0.00019601782366
                   +0 :              -0.00005887903441
                   +1 :               0.00016349850541
                   +2 :               0.00001039905780
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :               0.00544086303785
                   +1 :              -0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :              -0.00105560627792
                   +1 :               0.00072231956070
                3d
                   -2 :               0.00023523258788
                   -1 :              -0.00019601782366
                   +0 :               0.00005887903441
                   +1 :               0.00016349850541
                   +2 :              -0.00001039905780
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :               0.01051735081055
                   +0 :              -0.00544086303785
                   +1 :               0.00648259033969
                3p
                   -1 :              -0.00199604659696
                   +0 :               0.00105560627792
                   +1 :              -0.00072231956070
                3d
                   -2 :               0.00023523258788
                   -1 :              -0.00019601782366
                   +0 :              -0.00005887903441
                   +1 :              -0.00016349850541
                   +2 :               0.00001039905780
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :               0.00074096460973
                   +1 :              -0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :              -0.00077767587223
                   +1 :              -0.00028421488656
                3d
                   -2 :               0.00002546242918
                   -1 :              -0.00002734330251
                   +0 :               0.00006945916030
                   +1 :               0.00004134941765
                   +2 :               0.00004959419741
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :               0.00050472712685
                   +1 :              -0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :              -0.00026579634234
                   +1 :              -0.00003711007244
                3d
                   -2 :               0.00000314170501
                   -1 :              -0.00001502115464
                   +0 :              -0.00003962074189
                   +1 :              -0.00002784826793
                   +2 :               0.00001073569750
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :              -0.00074096460973
                   +1 :               0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :               0.00077767587223
                   +1 :               0.00028421488656
                3d
                   -2 :               0.00002546242918
                   -1 :              -0.00002734330251
                   +0 :              -0.00006945916030
                   +1 :              -0.00004134941765
                   +2 :              -0.00004959419741
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :              -0.00050472712685
                   +1 :               0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :               0.00026579634234
                   +1 :               0.00003711007244
                3d
                   -2 :               0.00000314170501
                   -1 :              -0.00001502115464
                   +0 :               0.00003962074189
                   +1 :               0.00002784826793
                   +2 :              -0.00001073569750
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :               0.00074096460973
                   +1 :               0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :              -0.00077767587223
                   +1 :               0.00028421488656
                3d
                   -2 :              -0.00002546242918
                   -1 :              -0.00002734330251
                   +0 :               0.00006945916030
                   +1 :              -0.00004134941765
                   +2 :               0.00004959419741
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :               0.00050472712685
                   +1 :               0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :              -0.00026579634234
                   +1 :               0.00003711007244
                3d
                   -2 :              -0.00000314170501
                   -1 :              -0.00001502115464
                   +0 :              -0.00003962074189
                   +1 :               0.00002784826793
                   +2 :               0.00001073569750
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :              -0.00020221057540
                   +0 :              -0.00074096460973
                   +1 :              -0.00007162606989
                3p
                   -1 :               0.00004481843573
                   +0 :               0.00077767587223
                   +1 :              -0.00028421488656
                3d
                   -2 :              -0.00002546242918
                   -1 :              -0.00002734330251
                   +0 :              -0.00006945916030
                   +1 :               0.00004134941765
                   +2 :              -0.00004959419741
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :              -0.00025098695817
                   +0 :              -0.00050472712685
                   +1 :              -0.00027592359569
                3p
                   -1 :               0.00003704096161
                   +0 :               0.00026579634234
                   +1 :              -0.00003711007244
                3d
                   -2 :              -0.00000314170501
                   -1 :              -0.00001502115464
                   +0 :               0.00003962074189
                   +1 :              -0.00002784826793
                   +2 :              -0.00001073569750
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00035503737660
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00039304152709
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00008566132040
                   -1 :              -0.00003000610029
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00001369271442
                2s
                   +0 :              -0.00043293321145
                3s
                   +0 :               0.00026193778737
                2p
                   -1 :               0.00039811659605
                   +0 :               0.00041140668504
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00031483759056
                   +0 :              -0.00020233260250
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00005042764449
                   +0 :              -0.00005468256601
                   +1 :              -0.00000000000000
                   +2 :              -0.00001589300229
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00001369271442
                2s
                   +0 :               0.00043293321145
                3s
                   +0 :              -0.00026193778737
                2p
                   -1 :               0.00039811659605
                   +0 :              -0.00041140668504
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00031483759056
                   +0 :               0.00020233260250
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00005042764449
                   +0 :               0.00005468256601
                   +1 :              -0.00000000000000
                   +2 :               0.00001589300229
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00035503737660
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00039304152709
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00008566132040
                   -1 :              -0.00003000610029
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :              -0.00006049749291
                   +1 :               0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :               0.00000809294570
                   +1 :               0.00017227333145
                3d
                   -2 :              -0.00002389997054
                   -1 :              -0.00001568154299
                   +0 :               0.00002801667949
                   +1 :              -0.00001040226004
                   +2 :              -0.00006469158067
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :               0.00006049749291
                   +1 :              -0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :              -0.00000809294570
                   +1 :              -0.00017227333145
                3d
                   -2 :              -0.00002389997054
                   -1 :              -0.00001568154299
                   +0 :              -0.00002801667949
                   +1 :               0.00001040226004
                   +2 :               0.00006469158067
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :               0.00007375270104
                   +1 :               0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :              -0.00012347067216
                   +1 :              -0.00027242560586
                3d
                   -2 :               0.00002938296902
                   -1 :               0.00002728329166
                   +0 :              -0.00001039338595
                   +1 :               0.00001860455789
                   +2 :               0.00000343606807
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :              -0.00007375270104
                   +1 :              -0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :               0.00012347067216
                   +1 :               0.00027242560586
                3d
                   -2 :               0.00002938296902
                   -1 :               0.00002728329166
                   +0 :               0.00001039338595
                   +1 :              -0.00001860455789
                   +2 :              -0.00000343606807
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :               0.00007375270104
                   +1 :              -0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :              -0.00012347067216
                   +1 :               0.00027242560586
                3d
                   -2 :              -0.00002938296902
                   -1 :               0.00002728329166
                   +0 :              -0.00001039338595
                   +1 :              -0.00001860455789
                   +2 :               0.00000343606807
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :               0.00037336279378
                   +0 :              -0.00007375270104
                   +1 :               0.00048727220771
                3p
                   -1 :              -0.00002283965498
                   +0 :               0.00012347067216
                   +1 :              -0.00027242560586
                3d
                   -2 :              -0.00002938296902
                   -1 :               0.00002728329166
                   +0 :               0.00001039338595
                   +1 :               0.00001860455789
                   +2 :              -0.00000343606807
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :              -0.00006049749291
                   +1 :              -0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :               0.00000809294570
                   +1 :              -0.00017227333145
                3d
                   -2 :               0.00002389997054
                   -1 :              -0.00001568154299
                   +0 :               0.00002801667949
                   +1 :               0.00001040226004
                   +2 :              -0.00006469158067
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :               0.00018085808973
                   +0 :               0.00006049749291
                   +1 :               0.00025528798472
                3p
                   -1 :               0.00003192303859
                   +0 :              -0.00000809294570
                   +1 :               0.00017227333145
                3d
                   -2 :               0.00002389997054
                   -1 :              -0.00001568154299
                   +0 :              -0.00002801667949
                   +1 :              -0.00001040226004
                   +2 :               0.00006469158067
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :               0.00029758532844
                   +1 :               0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :              -0.00007565796920
                   +1 :              -0.00016614673294
                3d
                   -2 :               0.00000844116857
                   -1 :               0.00000419272992
                   +0 :              -0.00001621405999
                   +1 :               0.00000538258756
                   +2 :               0.00000288750342
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :              -0.00008219193452
                   +1 :              -0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :              -0.00021351748028
                   +1 :              -0.00011023482821
                3d
                   -2 :               0.00000318255968
                   -1 :              -0.00000253166835
                   +0 :              -0.00003212931727
                   +1 :              -0.00005158102906
                   +2 :               0.00000441920668
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :              -0.00029758532844
                   +1 :              -0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :               0.00007565796920
                   +1 :               0.00016614673294
                3d
                   -2 :               0.00000844116857
                   -1 :               0.00000419272992
                   +0 :               0.00001621405999
                   +1 :              -0.00000538258756
                   +2 :              -0.00000288750342
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :               0.00008219193452
                   +1 :               0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :               0.00021351748028
                   +1 :               0.00011023482821
                3d
                   -2 :               0.00000318255968
                   -1 :              -0.00000253166835
                   +0 :               0.00003212931727
                   +1 :               0.00005158102906
                   +2 :              -0.00000441920668
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :              -0.00014512399297
                   +1 :              -0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :               0.00028779162208
                   +1 :              -0.00003611997011
                3d
                   -2 :               0.00002610034519
                   -1 :               0.00000625708337
                   +0 :              -0.00003722792544
                   +1 :              -0.00000215066171
                   +2 :               0.00002229812126
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :              -0.00046093431275
                   +1 :               0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :               0.00024684614379
                   +1 :              -0.00002511000576
                3d
                   -2 :              -0.00000256209413
                   -1 :               0.00001133924429
                   +0 :               0.00001833555859
                   +1 :              -0.00000013040529
                   +2 :               0.00000348228634
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :               0.00014512399297
                   +1 :               0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :              -0.00028779162208
                   +1 :               0.00003611997011
                3d
                   -2 :               0.00002610034519
                   -1 :               0.00000625708337
                   +0 :               0.00003722792544
                   +1 :               0.00000215066171
                   +2 :              -0.00002229812126
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :               0.00046093431275
                   +1 :              -0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :              -0.00024684614379
                   +1 :               0.00002511000576
                3d
                   -2 :              -0.00000256209413
                   -1 :               0.00001133924429
                   +0 :              -0.00001833555859
                   +1 :               0.00000013040529
                   +2 :              -0.00000348228634
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :              -0.00014512399297
                   +1 :               0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :               0.00028779162208
                   +1 :               0.00003611997011
                3d
                   -2 :              -0.00002610034519
                   -1 :               0.00000625708337
                   +0 :              -0.00003722792544
                   +1 :               0.00000215066171
                   +2 :               0.00002229812126
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :              -0.00046093431275
                   +1 :              -0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :               0.00024684614379
                   +1 :               0.00002511000576
                3d
                   -2 :               0.00000256209413
                   -1 :               0.00001133924429
                   +0 :               0.00001833555859
                   +1 :               0.00000013040529
                   +2 :               0.00000348228634
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :               0.00007397207618
                   +0 :               0.00014512399297
                   +1 :              -0.00042423564598
                3p
                   -1 :              -0.00012753260211
                   +0 :              -0.00028779162208
                   +1 :              -0.00003611997011
                3d
                   -2 :              -0.00002610034519
                   -1 :               0.00000625708337
                   +0 :               0.00003722792544
                   +1 :              -0.00000215066171
                   +2 :              -0.00002229812126
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :              -0.00016536701349
                   +0 :               0.00046093431275
                   +1 :               0.00003311059095
                3p
                   -1 :               0.00008450970209
                   +0 :              -0.00024684614379
                   +1 :              -0.00002511000576
                3d
                   -2 :               0.00000256209413
                   -1 :               0.00001133924429
                   +0 :              -0.00001833555859
                   +1 :              -0.00000013040529
                   +2 :              -0.00000348228634
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :               0.00029758532844
                   +1 :              -0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :              -0.00007565796920
                   +1 :               0.00016614673294
                3d
                   -2 :              -0.00000844116857
                   -1 :               0.00000419272992
                   +0 :              -0.00001621405999
                   +1 :              -0.00000538258756
                   +2 :               0.00000288750342
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :              -0.00008219193452
                   +1 :               0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :              -0.00021351748028
                   +1 :               0.00011023482821
                3d
                   -2 :              -0.00000318255968
                   -1 :              -0.00000253166835
                   +0 :              -0.00003212931727
                   +1 :               0.00005158102906
                   +2 :               0.00000441920668
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :              -0.00003536181576
                   +0 :              -0.00029758532844
                   +1 :               0.00014831784661
                3p
                   -1 :              -0.00002907855145
                   +0 :               0.00007565796920
                   +1 :              -0.00016614673294
                3d
                   -2 :              -0.00000844116857
                   -1 :               0.00000419272992
                   +0 :               0.00001621405999
                   +1 :               0.00000538258756
                   +2 :              -0.00000288750342
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :              -0.00004841337623
                   +0 :               0.00008219193452
                   +1 :              -0.00037812147524
                3p
                   -1 :              -0.00002242539819
                   +0 :               0.00021351748028
                   +1 :              -0.00011023482821
                3d
                   -2 :              -0.00000318255968
                   -1 :              -0.00000253166835
                   +0 :               0.00003212931727
                   +1 :              -0.00005158102906
                   +2 :              -0.00000441920668
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.01330846214005
                5p
                   -1 :               0.02397483131749
                   +0 :               0.01335619604297
                   +1 :               0.02397483131749
                6s
                   +0 :              -0.00155026887800
                7s
                   +0 :              -0.00155352740889
                5d
                   -2 :               0.02640665620153
                   -1 :               0.01827711717857
                   +0 :              -0.02510675252655
                   +1 :               0.01827711717857
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00024388508876
                   -1 :              -0.00267388440673
                   +0 :               0.00283638385683
                   +1 :              -0.00267388440673
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00153066097166
                   +0 :               0.00325826033519
                   +1 :               0.00153066097166
                4f
                   -3 :               0.00933541497945
                   -2 :               0.00958272057710
                   -1 :              -0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :              -0.01505849542435
                   +2 :              -0.00000000000000
                   +3 :              -0.00933541497945
              2 vec=    -3.573189      3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.01330846214005
                5p
                   -1 :              -0.02397483131749
                   +0 :               0.01335619604297
                   +1 :               0.02397483131749
                6s
                   +0 :              -0.00155026887800
                7s
                   +0 :              -0.00155352740889
                5d
                   -2 :              -0.02640665620153
                   -1 :              -0.01827711717857
                   +0 :              -0.02510675252655
                   +1 :               0.01827711717857
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00024388508876
                   -1 :               0.00267388440673
                   +0 :               0.00283638385683
                   +1 :              -0.00267388440673
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00153066097166
                   +0 :               0.00325826033519
                   +1 :               0.00153066097166
                4f
                   -3 :              -0.00933541497945
                   -2 :              -0.00958272057710
                   -1 :               0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :              -0.01505849542435
                   +2 :               0.00000000000000
                   +3 :              -0.00933541497945
              3 vec=     3.573189     -3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.01330846214005
                5p
                   -1 :               0.02397483131749
                   +0 :               0.01335619604297
                   +1 :              -0.02397483131749
                6s
                   +0 :              -0.00155026887800
                7s
                   +0 :              -0.00155352740889
                5d
                   -2 :              -0.02640665620153
                   -1 :               0.01827711717857
                   +0 :              -0.02510675252655
                   +1 :              -0.01827711717857
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00024388508876
                   -1 :              -0.00267388440673
                   +0 :               0.00283638385683
                   +1 :               0.00267388440673
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00153066097166
                   +0 :               0.00325826033519
                   +1 :              -0.00153066097166
                4f
                   -3 :               0.00933541497945
                   -2 :              -0.00958272057710
                   -1 :              -0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :               0.01505849542435
                   +2 :               0.00000000000000
                   +3 :               0.00933541497945
              4 vec=     3.573189      3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.01330846214005
                5p
                   -1 :              -0.02397483131749
                   +0 :               0.01335619604297
                   +1 :              -0.02397483131749
                6s
                   +0 :              -0.00155026887800
                7s
                   +0 :              -0.00155352740889
                5d
                   -2 :               0.02640665620153
                   -1 :              -0.01827711717857
                   +0 :              -0.02510675252655
                   +1 :              -0.01827711717857
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00024388508876
                   -1 :               0.00267388440673
                   +0 :               0.00283638385683
                   +1 :               0.00267388440673
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00153066097166
                   +0 :               0.00325826033519
                   +1 :              -0.00153066097166
                4f
                   -3 :              -0.00933541497945
                   -2 :               0.00958272057710
                   -1 :               0.01505849542435
                   +0 :              -0.00914803617504
                   +1 :               0.01505849542435
                   +2 :              -0.00000000000000
                   +3 :               0.00933541497945
              5 vec=   -10.719566     -3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :              -0.00023339379706
                   +0 :               0.00004306096318
                   +1 :               0.00078155302831
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :               0.00052719608879
                   +0 :               0.00017098532162
                   +1 :              -0.00035075907147
                   +2 :               0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :              -0.00020007426855
                   +0 :              -0.00010175458905
                   +1 :               0.00037737106450
                   +2 :              -0.00008875764346
                6p
                   -1 :              -0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :               0.00022727014458
                4f
                   -3 :              -0.00019554317887
                   -2 :               0.00004107465573
                   -1 :               0.00018243075007
                   +0 :               0.00015437558502
                   +1 :               0.00019114016650
                   +2 :               0.00012931278640
                   +3 :               0.00004821948622
              6 vec=   -10.719566      3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :               0.00023339379706
                   +0 :               0.00004306096318
                   +1 :               0.00078155302831
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :              -0.00052719608879
                   +0 :               0.00017098532162
                   +1 :              -0.00035075907147
                   +2 :               0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :               0.00020007426855
                   +0 :              -0.00010175458905
                   +1 :               0.00037737106450
                   +2 :              -0.00008875764346
                6p
                   -1 :               0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :               0.00022727014458
                4f
                   -3 :               0.00019554317887
                   -2 :              -0.00004107465573
                   -1 :              -0.00018243075007
                   +0 :               0.00015437558502
                   +1 :               0.00019114016650
                   +2 :               0.00012931278640
                   +3 :               0.00004821948622
              7 vec=    -3.573189    -10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :               0.00078155302831
                   +0 :               0.00004306096318
                   +1 :              -0.00023339379706
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :              -0.00035075907147
                   +0 :               0.00017098532162
                   +1 :               0.00052719608879
                   +2 :              -0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :               0.00037737106450
                   +0 :              -0.00010175458905
                   +1 :              -0.00020007426855
                   +2 :               0.00008875764346
                6p
                   -1 :               0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :              -0.00020134206690
                4f
                   -3 :              -0.00004821948622
                   -2 :               0.00004107465573
                   -1 :               0.00019114016650
                   +0 :               0.00015437558502
                   +1 :               0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :               0.00019554317887
              8 vec=    -3.573189     10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :              -0.00078155302831
                   +0 :               0.00004306096318
                   +1 :              -0.00023339379706
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :               0.00035075907147
                   +0 :               0.00017098532162
                   +1 :               0.00052719608879
                   +2 :              -0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :              -0.00037737106450
                   +0 :              -0.00010175458905
                   +1 :              -0.00020007426855
                   +2 :               0.00008875764346
                6p
                   -1 :              -0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :              -0.00020134206690
                4f
                   -3 :               0.00004821948622
                   -2 :              -0.00004107465573
                   -1 :              -0.00019114016650
                   +0 :               0.00015437558502
                   +1 :               0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :               0.00019554317887
              9 vec=     3.573189    -10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :               0.00078155302831
                   +0 :               0.00004306096318
                   +1 :               0.00023339379706
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :              -0.00035075907147
                   +0 :               0.00017098532162
                   +1 :              -0.00052719608879
                   +2 :              -0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :               0.00037737106450
                   +0 :              -0.00010175458905
                   +1 :               0.00020007426855
                   +2 :               0.00008875764346
                6p
                   -1 :               0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :               0.00020134206690
                4f
                   -3 :              -0.00004821948622
                   -2 :              -0.00004107465573
                   -1 :               0.00019114016650
                   +0 :               0.00015437558502
                   +1 :              -0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :              -0.00019554317887
             10 vec=     3.573189     10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :              -0.00078155302831
                   +0 :               0.00004306096318
                   +1 :               0.00023339379706
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :               0.00035075907147
                   +0 :               0.00017098532162
                   +1 :              -0.00052719608879
                   +2 :              -0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :              -0.00037737106450
                   +0 :              -0.00010175458905
                   +1 :               0.00020007426855
                   +2 :               0.00008875764346
                6p
                   -1 :              -0.00022727014458
                   +0 :              -0.00010602718547
                   +1 :               0.00020134206690
                4f
                   -3 :               0.00004821948622
                   -2 :               0.00004107465573
                   -1 :              -0.00019114016650
                   +0 :               0.00015437558502
                   +1 :              -0.00018243075007
                   +2 :              -0.00012931278640
                   +3 :              -0.00019554317887
             11 vec=    10.719566     -3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :              -0.00023339379706
                   +0 :               0.00004306096318
                   +1 :              -0.00078155302831
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :               0.00115373070743
                   -1 :               0.00052719608879
                   +0 :               0.00017098532162
                   +1 :               0.00035075907147
                   +2 :               0.00007418010920
                6d
                   -2 :              -0.00032107965621
                   -1 :              -0.00020007426855
                   +0 :              -0.00010175458905
                   +1 :              -0.00037737106450
                   +2 :              -0.00008875764346
                6p
                   -1 :              -0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :              -0.00022727014458
                4f
                   -3 :              -0.00019554317887
                   -2 :              -0.00004107465573
                   -1 :               0.00018243075007
                   +0 :               0.00015437558502
                   +1 :              -0.00019114016650
                   +2 :               0.00012931278640
                   +3 :              -0.00004821948622
             12 vec=    10.719566      3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00005125316885
                5p
                   -1 :               0.00023339379706
                   +0 :               0.00004306096318
                   +1 :              -0.00078155302831
                6s
                   +0 :              -0.00015081469153
                7s
                   +0 :              -0.00009987772395
                5d
                   -2 :              -0.00115373070743
                   -1 :              -0.00052719608879
                   +0 :               0.00017098532162
                   +1 :               0.00035075907147
                   +2 :               0.00007418010920
                6d
                   -2 :               0.00032107965621
                   -1 :               0.00020007426855
                   +0 :              -0.00010175458905
                   +1 :              -0.00037737106450
                   +2 :              -0.00008875764346
                6p
                   -1 :               0.00020134206690
                   +0 :              -0.00010602718547
                   +1 :              -0.00022727014458
                4f
                   -3 :               0.00019554317887
                   -2 :               0.00004107465573
                   -1 :              -0.00018243075007
                   +0 :               0.00015437558502
                   +1 :              -0.00019114016650
                   +2 :               0.00012931278640
                   +3 :              -0.00004821948622
             13 vec=     0.000000      0.000000    -11.456663   |vec|=   11.456663
                5s
                   +0 :              -0.00242072671901
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00724120725044
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00492855202436
                7s
                   +0 :              -0.00032034064990
                5d
                   -1 :              -0.00000000000000
                   +0 :              -0.00911295397126
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00373858089641
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00173685710603
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00273133171895
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :               0.00000000000000
             14 vec=    -7.146377      0.000000    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00019748175162
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00009721670151
                   +1 :               0.00071564028915
                6s
                   +0 :               0.00243192556202
                7s
                   +0 :              -0.00022008370674
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00192078027101
                   +1 :              -0.00486311233688
                   +2 :              -0.00270140525892
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00027288741963
                   +1 :               0.00033731408642
                   +2 :               0.00024687667126
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00050113678650
                   +1 :              -0.00029040727684
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00008577066182
                   +1 :              -0.00184565433639
                   +2 :              -0.00194354343666
                   +3 :              -0.00092575881598
             15 vec=     0.000000     -7.146377    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00019748175162
                5p
                   -1 :               0.00071564028915
                   +0 :              -0.00009721670151
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00243192556202
                7s
                   +0 :              -0.00022008370674
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00486311233688
                   +0 :              -0.00192078027101
                   +1 :               0.00000000000000
                   +2 :               0.00270140525892
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00033731408642
                   +0 :               0.00027288741963
                   +1 :              -0.00000000000000
                   +2 :              -0.00024687667126
                6p
                   -1 :              -0.00029040727684
                   +0 :              -0.00050113678650
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00092575881598
                   -2 :               0.00000000000000
                   -1 :              -0.00184565433639
                   +0 :               0.00008577066182
                   +1 :               0.00000000000000
                   +2 :               0.00194354343666
                   +3 :               0.00000000000000
             16 vec=     0.000000      7.146377    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00019748175162
                5p
                   -1 :              -0.00071564028915
                   +0 :              -0.00009721670151
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00243192556202
                7s
                   +0 :              -0.00022008370674
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00486311233688
                   +0 :              -0.00192078027101
                   +1 :              -0.00000000000000
                   +2 :               0.00270140525892
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00033731408642
                   +0 :               0.00027288741963
                   +1 :               0.00000000000000
                   +2 :              -0.00024687667126
                6p
                   -1 :               0.00029040727684
                   +0 :              -0.00050113678650
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00092575881598
                   -2 :               0.00000000000000
                   -1 :               0.00184565433639
                   +0 :               0.00008577066182
                   +1 :              -0.00000000000000
                   +2 :               0.00194354343666
                   +3 :              -0.00000000000000
             17 vec=     7.146377      0.000000    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00019748175162
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00009721670151
                   +1 :              -0.00071564028915
                6s
                   +0 :               0.00243192556202
                7s
                   +0 :              -0.00022008370674
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00192078027101
                   +1 :               0.00486311233688
                   +2 :              -0.00270140525892
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00027288741963
                   +1 :              -0.00033731408642
                   +2 :               0.00024687667126
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00050113678650
                   +1 :               0.00029040727684
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00008577066182
                   +1 :               0.00184565433639
                   +2 :              -0.00194354343666
                   +3 :               0.00092575881598
             18 vec=     0.000000      0.000000     13.579751   |vec|=   13.579751
                5s
                   +0 :              -0.00043299544694
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00041320595589
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00232722035946
                7s
                   +0 :              -0.00021199155115
                5d
                   -1 :               0.00000000000000
                   +0 :              -0.00756710141029
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00080428169154
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00080187246988
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00396702765286
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
             19 vec=   -10.719566    -10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00067317149586
                5p
                   -1 :               0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :               0.00066986806186
                6s
                   +0 :              -0.00003890097925
                7s
                   +0 :              -0.00013086905045
                5d
                   -2 :               0.00073850895221
                   -1 :              -0.00064787269748
                   +0 :              -0.00049503743805
                   +1 :              -0.00064787269748
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00032781255299
                   -1 :               0.00004337292160
                   +0 :              -0.00011798906081
                   +1 :               0.00004337292160
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :              -0.00004264806169
                4f
                   -3 :               0.00013177744539
                   -2 :              -0.00049633420420
                   -1 :              -0.00008164091676
                   +0 :               0.00042349297018
                   +1 :              -0.00008164091676
                   +2 :               0.00000000000000
                   +3 :              -0.00013177744539
             20 vec=   -10.719566     10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00067317149586
                5p
                   -1 :              -0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :               0.00066986806186
                6s
                   +0 :              -0.00003890097925
                7s
                   +0 :              -0.00013086905045
                5d
                   -2 :              -0.00073850895221
                   -1 :               0.00064787269748
                   +0 :              -0.00049503743805
                   +1 :              -0.00064787269748
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00032781255299
                   -1 :              -0.00004337292160
                   +0 :              -0.00011798906081
                   +1 :               0.00004337292160
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :              -0.00004264806169
                4f
                   -3 :              -0.00013177744539
                   -2 :               0.00049633420420
                   -1 :               0.00008164091676
                   +0 :               0.00042349297018
                   +1 :              -0.00008164091676
                   +2 :              -0.00000000000000
                   +3 :              -0.00013177744539
             21 vec=    10.719566    -10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00067317149586
                5p
                   -1 :               0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :              -0.00066986806186
                6s
                   +0 :              -0.00003890097925
                7s
                   +0 :              -0.00013086905045
                5d
                   -2 :              -0.00073850895221
                   -1 :              -0.00064787269748
                   +0 :              -0.00049503743805
                   +1 :               0.00064787269748
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00032781255299
                   -1 :               0.00004337292160
                   +0 :              -0.00011798906081
                   +1 :              -0.00004337292160
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :               0.00004264806169
                4f
                   -3 :               0.00013177744539
                   -2 :               0.00049633420420
                   -1 :              -0.00008164091676
                   +0 :               0.00042349297018
                   +1 :               0.00008164091676
                   +2 :              -0.00000000000000
                   +3 :               0.00013177744539
             22 vec=    10.719566     10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00067317149586
                5p
                   -1 :              -0.00066986806186
                   +0 :              -0.00017760900199
                   +1 :              -0.00066986806186
                6s
                   +0 :              -0.00003890097925
                7s
                   +0 :              -0.00013086905045
                5d
                   -2 :               0.00073850895221
                   -1 :               0.00064787269748
                   +0 :              -0.00049503743805
                   +1 :               0.00064787269748
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00032781255299
                   -1 :              -0.00004337292160
                   +0 :              -0.00011798906081
                   +1 :              -0.00004337292160
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00004264806169
                   +0 :              -0.00004814099122
                   +1 :               0.00004264806169
                4f
                   -3 :              -0.00013177744539
                   -2 :              -0.00049633420420
                   -1 :               0.00008164091676
                   +0 :               0.00042349297018
                   +1 :               0.00008164091676
                   +2 :               0.00000000000000
                   +3 :               0.00013177744539
             23 vec=    -7.146377     -7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00002114938492
                5p
                   -1 :               0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :               0.00002815046109
                6s
                   +0 :               0.00053449747804
                7s
                   +0 :              -0.00011356741981
                5d
                   -2 :               0.00039795320615
                   -1 :              -0.00019202718390
                   +0 :              -0.00032767586261
                   +1 :              -0.00019202718390
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00005284257488
                   -1 :              -0.00003025944101
                   +0 :               0.00014907704644
                   +1 :              -0.00003025944101
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000230518645
                   +0 :               0.00000361237404
                   +1 :               0.00000230518645
                4f
                   -3 :               0.00001151907353
                   -2 :               0.00024239867292
                   -1 :              -0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :              -0.00018790476154
                   +2 :               0.00000000000000
                   +3 :              -0.00001151907353
             24 vec=    -7.146377      7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00002114938492
                5p
                   -1 :              -0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :               0.00002815046109
                6s
                   +0 :               0.00053449747804
                7s
                   +0 :              -0.00011356741981
                5d
                   -2 :              -0.00039795320615
                   -1 :               0.00019202718390
                   +0 :              -0.00032767586261
                   +1 :              -0.00019202718390
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00005284257488
                   -1 :               0.00003025944101
                   +0 :               0.00014907704644
                   +1 :              -0.00003025944101
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000230518645
                   +0 :               0.00000361237404
                   +1 :               0.00000230518645
                4f
                   -3 :              -0.00001151907353
                   -2 :              -0.00024239867292
                   -1 :               0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :              -0.00018790476154
                   +2 :               0.00000000000000
                   +3 :              -0.00001151907353
             25 vec=     7.146377     -7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00002114938492
                5p
                   -1 :               0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :              -0.00002815046109
                6s
                   +0 :               0.00053449747804
                7s
                   +0 :              -0.00011356741981
                5d
                   -2 :              -0.00039795320615
                   -1 :              -0.00019202718390
                   +0 :              -0.00032767586261
                   +1 :               0.00019202718390
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00005284257488
                   -1 :              -0.00003025944101
                   +0 :               0.00014907704644
                   +1 :               0.00003025944101
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000230518645
                   +0 :               0.00000361237404
                   +1 :              -0.00000230518645
                4f
                   -3 :               0.00001151907353
                   -2 :              -0.00024239867292
                   -1 :              -0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :               0.00018790476154
                   +2 :              -0.00000000000000
                   +3 :               0.00001151907353
             26 vec=     7.146377      7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00002114938492
                5p
                   -1 :              -0.00002815046109
                   +0 :              -0.00042679954270
                   +1 :              -0.00002815046109
                6s
                   +0 :               0.00053449747804
                7s
                   +0 :              -0.00011356741981
                5d
                   -2 :               0.00039795320615
                   -1 :               0.00019202718390
                   +0 :              -0.00032767586261
                   +1 :               0.00019202718390
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00005284257488
                   -1 :               0.00003025944101
                   +0 :               0.00014907704644
                   +1 :               0.00003025944101
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000230518645
                   +0 :               0.00000361237404
                   +1 :              -0.00000230518645
                4f
                   -3 :              -0.00001151907353
                   -2 :               0.00024239867292
                   -1 :               0.00018790476154
                   +0 :              -0.00005224030067
                   +1 :               0.00018790476154
                   +2 :               0.00000000000000
                   +3 :               0.00001151907353
             27 vec=    -7.146377      0.000000     13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00033693799319
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00081002577953
                   +1 :              -0.00009541559413
                6s
                   +0 :              -0.00060444999781
                7s
                   +0 :               0.00001526454206
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00159387653362
                   +1 :               0.00086249617625
                   +2 :               0.00023394404226
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00005345246435
                   +1 :              -0.00017017630845
                   +2 :              -0.00003126929836
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00015017103746
                   +1 :               0.00002240792982
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00116130731665
                   +1 :              -0.00062767467632
                   +2 :               0.00003350110034
                   +3 :               0.00013049663995
             28 vec=     0.000000     -7.146377     13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00033693799319
                5p
                   -1 :              -0.00009541559413
                   +0 :              -0.00081002577953
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00060444999781
                7s
                   +0 :               0.00001526454206
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00086249617625
                   +0 :               0.00159387653362
                   +1 :              -0.00000000000000
                   +2 :              -0.00023394404226
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00017017630845
                   +0 :              -0.00005345246435
                   +1 :               0.00000000000000
                   +2 :               0.00003126929836
                6p
                   -1 :               0.00002240792982
                   +0 :              -0.00015017103746
                4f
                   -3 :              -0.00013049663995
                   -2 :              -0.00000000000000
                   -1 :              -0.00062767467632
                   +0 :              -0.00116130731665
                   +1 :               0.00000000000000
                   +2 :              -0.00003350110034
                   +3 :              -0.00000000000000
             29 vec=     0.000000      7.146377     13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00033693799319
                5p
                   -1 :               0.00009541559413
                   +0 :              -0.00081002577953
                   +1 :              -0.00000000000000
                6s
                   +0 :              -0.00060444999781
                7s
                   +0 :               0.00001526454206
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00086249617625
                   +0 :               0.00159387653362
                   +1 :               0.00000000000000
                   +2 :              -0.00023394404226
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00017017630845
                   +0 :              -0.00005345246435
                   +1 :               0.00000000000000
                   +2 :               0.00003126929836
                6p
                   -1 :              -0.00002240792982
                   +0 :              -0.00015017103746
                   +1 :              -0.00000000000000
                4f
                   -3 :               0.00013049663995
                   -2 :              -0.00000000000000
                   -1 :               0.00062767467632
                   +0 :              -0.00116130731665
                   +1 :               0.00000000000000
                   +2 :              -0.00003350110034
                   +3 :               0.00000000000000
             30 vec=     7.146377      0.000000     13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00033693799319
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00081002577953
                   +1 :               0.00009541559413
                6s
                   +0 :              -0.00060444999781
                7s
                   +0 :               0.00001526454206
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00159387653362
                   +1 :              -0.00086249617625
                   +2 :               0.00023394404226
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00005345246435
                   +1 :               0.00017017630845
                   +2 :              -0.00003126929836
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00015017103746
                   +1 :              -0.00002240792982
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00116130731665
                   +1 :               0.00062767467632
                   +2 :               0.00003350110034
                   +3 :              -0.00013049663995
             31 vec=    -7.146377     -7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00009846327544
                5p
                   -1 :               0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :               0.00005298953607
                6s
                   +0 :              -0.00003319484425
                7s
                   +0 :               0.00002041366561
                5d
                   -2 :              -0.00005595198651
                   -1 :              -0.00015858796356
                   +0 :               0.00004470321549
                   +1 :              -0.00015858796356
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000133823365
                   -1 :               0.00002905787173
                   +0 :               0.00000746107266
                   +1 :               0.00002905787173
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001690479952
                   +0 :               0.00001988220176
                   +1 :              -0.00001690479952
                4f
                   -3 :              -0.00001036852412
                   -2 :              -0.00008136708608
                   -1 :               0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :               0.00004061041182
                   +2 :              -0.00000000000000
                   +3 :               0.00001036852412
             32 vec=    -7.146377      7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00009846327544
                5p
                   -1 :              -0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :               0.00005298953607
                6s
                   +0 :              -0.00003319484425
                7s
                   +0 :               0.00002041366561
                5d
                   -2 :               0.00005595198651
                   -1 :               0.00015858796356
                   +0 :               0.00004470321549
                   +1 :              -0.00015858796356
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000133823365
                   -1 :              -0.00002905787173
                   +0 :               0.00000746107266
                   +1 :               0.00002905787173
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00001690479952
                   +0 :               0.00001988220176
                   +1 :              -0.00001690479952
                4f
                   -3 :               0.00001036852412
                   -2 :               0.00008136708608
                   -1 :              -0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :               0.00004061041182
                   +2 :              -0.00000000000000
                   +3 :               0.00001036852412
             33 vec=     7.146377     -7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00009846327544
                5p
                   -1 :               0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :              -0.00005298953607
                6s
                   +0 :              -0.00003319484425
                7s
                   +0 :               0.00002041366561
                5d
                   -2 :               0.00005595198651
                   -1 :              -0.00015858796356
                   +0 :               0.00004470321549
                   +1 :               0.00015858796356
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00000133823365
                   -1 :               0.00002905787173
                   +0 :               0.00000746107266
                   +1 :              -0.00002905787173
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001690479952
                   +0 :               0.00001988220176
                   +1 :               0.00001690479952
                4f
                   -3 :              -0.00001036852412
                   -2 :               0.00008136708608
                   -1 :               0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :              -0.00004061041182
                   +2 :               0.00000000000000
                   +3 :              -0.00001036852412
             34 vec=     7.146377      7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00009846327544
                5p
                   -1 :              -0.00005298953607
                   +0 :              -0.00005135999729
                   +1 :              -0.00005298953607
                6s
                   +0 :              -0.00003319484425
                7s
                   +0 :               0.00002041366561
                5d
                   -2 :              -0.00005595198651
                   -1 :               0.00015858796356
                   +0 :               0.00004470321549
                   +1 :               0.00015858796356
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000133823365
                   -1 :              -0.00002905787173
                   +0 :               0.00000746107266
                   +1 :              -0.00002905787173
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001690479952
                   +0 :               0.00001988220176
                   +1 :               0.00001690479952
                4f
                   -3 :               0.00001036852412
                   -2 :              -0.00008136708608
                   -1 :              -0.00004061041182
                   +0 :              -0.00003694565947
                   +1 :              -0.00004061041182
                   +2 :               0.00000000000000
                   +3 :              -0.00001036852412
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site La(  2)  npairs=  41
              1 vec=     0.000000      0.000000     -4.446467   |vec|=    4.446467
                5s
                   +0 :               0.10406398822612
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.23705003075712
                   +1 :               0.00000000000000
                6s
                   +0 :               0.02353941195633
                7s
                   +0 :               0.00433239448147
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.17100582984849
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.01697514251720
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00098180724824
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.08921858711870
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                   +3 :              -0.00000000000000
              2 vec=    -7.146377      0.000000     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00053471753333
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00057110153218
                   +1 :               0.00090944075279
                6s
                   +0 :               0.00164632678344
                7s
                   +0 :              -0.00036648994874
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00286809948802
                   +1 :              -0.00047186717043
                   +2 :               0.00138189895286
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00076538004120
                   +1 :               0.00134873201976
                   +2 :               0.00049870799843
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00049972824347
                   +1 :               0.00023067673607
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00110396291209
                   +1 :              -0.00081284890324
                   +2 :              -0.00007031622513
                   +3 :               0.00115241330333
              3 vec=     0.000000     -7.146377     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00053471753333
                5p
                   -1 :               0.00090944075279
                   +0 :               0.00057110153218
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00164632678344
                7s
                   +0 :              -0.00036648994874
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00047186717043
                   +0 :              -0.00286809948802
                   +2 :              -0.00138189895286
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00134873201976
                   +0 :               0.00076538004120
                   +1 :              -0.00000000000000
                   +2 :              -0.00049870799843
                6p
                   -1 :               0.00023067673607
                   +0 :              -0.00049972824347
                   +1 :              -0.00000000000000
                4f
                   -3 :              -0.00115241330333
                   -2 :              -0.00000000000000
                   -1 :              -0.00081284890324
                   +0 :               0.00110396291209
                   +1 :               0.00000000000000
                   +2 :               0.00007031622513
                   +3 :               0.00000000000000
              4 vec=     0.000000      7.146377     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00053471753333
                5p
                   -1 :              -0.00090944075279
                   +0 :               0.00057110153218
                   +1 :               0.00000000000000
                6s
                   +0 :               0.00164632678344
                7s
                   +0 :              -0.00036648994874
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00047186717043
                   +0 :              -0.00286809948802
                   +1 :              -0.00000000000000
                   +2 :              -0.00138189895286
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00134873201976
                   +0 :               0.00076538004120
                   +1 :               0.00000000000000
                   +2 :              -0.00049870799843
                6p
                   -1 :              -0.00023067673607
                   +0 :              -0.00049972824347
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00115241330333
                   -1 :               0.00081284890324
                   +0 :               0.00110396291209
                   +1 :              -0.00000000000000
                   +2 :               0.00007031622513
                   +3 :              -0.00000000000000
              5 vec=     7.146377      0.000000     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00053471753333
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00057110153218
                   +1 :              -0.00090944075279
                6s
                   +0 :               0.00164632678344
                7s
                   +0 :              -0.00036648994874
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00286809948802
                   +1 :               0.00047186717043
                   +2 :               0.00138189895286
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00076538004120
                   +1 :              -0.00134873201976
                   +2 :               0.00049870799843
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00049972824347
                   +1 :              -0.00023067673607
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00110396291209
                   +1 :               0.00081284890324
                   +2 :              -0.00007031622513
                   +3 :              -0.00115241330333
              6 vec=    -3.573189     -3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00073132759824
                5p
                   -1 :              -0.00111138717859
                   +0 :               0.00172681154706
                   +1 :              -0.00111138717859
                6s
                   +0 :              -0.00113740116284
                7s
                   +0 :               0.00031819484173
                5d
                   -2 :              -0.00599721233563
                   -1 :              -0.00072715084654
                   +0 :              -0.00281623680683
                   +1 :              -0.00072715084654
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00057255301370
                   -1 :               0.00016377047484
                   +0 :               0.00023635767047
                   +1 :               0.00016377047484
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001148679557
                   +0 :               0.00055917259430
                   +1 :              -0.00001148679557
                4f
                   -3 :              -0.00250849266585
                   -2 :               0.00392524908915
                   -1 :              -0.00076720077173
                   +0 :               0.00166458542966
                   +1 :              -0.00076720077173
                   +2 :              -0.00000000000000
                   +3 :               0.00250849266585
              7 vec=    -3.573189      3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00073132759824
                5p
                   -1 :               0.00111138717859
                   +0 :               0.00172681154706
                   +1 :              -0.00111138717859
                6s
                   +0 :              -0.00113740116284
                7s
                   +0 :               0.00031819484173
                5d
                   -2 :               0.00599721233563
                   -1 :               0.00072715084654
                   +0 :              -0.00281623680683
                   +1 :              -0.00072715084654
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00057255301370
                   -1 :              -0.00016377047484
                   +0 :               0.00023635767047
                   +1 :               0.00016377047484
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00001148679557
                   +0 :               0.00055917259430
                   +1 :              -0.00001148679557
                4f
                   -3 :               0.00250849266585
                   -2 :              -0.00392524908915
                   -1 :               0.00076720077173
                   +0 :               0.00166458542966
                   +1 :              -0.00076720077173
                   +2 :               0.00000000000000
                   +3 :               0.00250849266585
              8 vec=     3.573189     -3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00073132759824
                5p
                   -1 :              -0.00111138717859
                   +0 :               0.00172681154706
                   +1 :               0.00111138717859
                6s
                   +0 :              -0.00113740116284
                7s
                   +0 :               0.00031819484173
                5d
                   -2 :               0.00599721233563
                   -1 :              -0.00072715084654
                   +0 :              -0.00281623680683
                   +1 :               0.00072715084654
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00057255301370
                   -1 :               0.00016377047484
                   +0 :               0.00023635767047
                   +1 :              -0.00016377047484
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001148679557
                   +0 :               0.00055917259430
                   +1 :               0.00001148679557
                4f
                   -3 :              -0.00250849266585
                   -2 :              -0.00392524908915
                   -1 :              -0.00076720077173
                   +0 :               0.00166458542966
                   +1 :               0.00076720077173
                   +2 :               0.00000000000000
                   +3 :              -0.00250849266585
              9 vec=     3.573189      3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00073132759824
                5p
                   -1 :               0.00111138717859
                   +0 :               0.00172681154706
                   +1 :               0.00111138717859
                6s
                   +0 :              -0.00113740116284
                7s
                   +0 :               0.00031819484173
                5d
                   -2 :              -0.00599721233563
                   -1 :               0.00072715084654
                   +0 :              -0.00281623680683
                   +1 :               0.00072715084654
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00057255301370
                   -1 :              -0.00016377047484
                   +0 :               0.00023635767047
                   +1 :              -0.00016377047484
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001148679557
                   +0 :               0.00055917259430
                   +1 :               0.00001148679557
                4f
                   -3 :               0.00250849266585
                   -2 :               0.00392524908915
                   -1 :               0.00076720077173
                   +0 :               0.00166458542966
                   +1 :               0.00076720077173
                   +2 :              -0.00000000000000
                   +3 :              -0.00250849266585
             10 vec=    -7.146377     -7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00032117487629
                5p
                   -1 :               0.00000463311825
                   +0 :               0.00045104337889
                   +1 :               0.00000463311825
                6s
                   +0 :               0.00014581048117
                7s
                   +0 :              -0.00016186331879
                5d
                   -2 :              -0.00127740559163
                   -1 :               0.00051810350355
                   +0 :               0.00194683133951
                   +1 :               0.00051810350355
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00046644964320
                   -1 :              -0.00022874691444
                   +0 :              -0.00061105503483
                   +1 :              -0.00022874691444
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000374261304
                   +0 :               0.00059132787084
                   +1 :               0.00000374261304
                4f
                   -3 :              -0.00030979766361
                   -2 :               0.00029524097905
                   -1 :              -0.00000314490826
                   +0 :               0.00009065019264
                   +1 :              -0.00000314490826
                   +2 :               0.00000000000000
                   +3 :               0.00030979766361
             11 vec=    -7.146377      7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00032117487629
                5p
                   -1 :              -0.00000463311825
                   +0 :               0.00045104337889
                   +1 :               0.00000463311825
                6s
                   +0 :               0.00014581048117
                7s
                   +0 :              -0.00016186331879
                5d
                   -2 :               0.00127740559163
                   -1 :              -0.00051810350355
                   +0 :               0.00194683133951
                   +1 :               0.00051810350355
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00046644964320
                   -1 :               0.00022874691444
                   +0 :              -0.00061105503483
                   +1 :              -0.00022874691444
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000374261304
                   +0 :               0.00059132787084
                   +1 :               0.00000374261304
                4f
                   -3 :               0.00030979766361
                   -2 :              -0.00029524097905
                   -1 :               0.00000314490826
                   +0 :               0.00009065019264
                   +1 :              -0.00000314490826
                   +2 :               0.00000000000000
                   +3 :               0.00030979766361
             12 vec=     7.146377     -7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00032117487629
                5p
                   -1 :               0.00000463311825
                   +0 :               0.00045104337889
                   +1 :              -0.00000463311825
                6s
                   +0 :               0.00014581048117
                7s
                   +0 :              -0.00016186331879
                5d
                   -2 :               0.00127740559163
                   -1 :               0.00051810350355
                   +0 :               0.00194683133951
                   +1 :              -0.00051810350355
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00046644964320
                   -1 :              -0.00022874691444
                   +0 :              -0.00061105503483
                   +1 :               0.00022874691444
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000374261304
                   +0 :               0.00059132787084
                   +1 :              -0.00000374261304
                4f
                   -3 :              -0.00030979766361
                   -2 :              -0.00029524097905
                   -1 :              -0.00000314490826
                   +0 :               0.00009065019264
                   +1 :               0.00000314490826
                   +2 :              -0.00000000000000
                   +3 :              -0.00030979766361
             13 vec=     7.146377      7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00032117487629
                5p
                   -1 :              -0.00000463311825
                   +0 :               0.00045104337889
                   +1 :              -0.00000463311825
                6s
                   +0 :               0.00014581048117
                7s
                   +0 :              -0.00016186331879
                5d
                   -2 :              -0.00127740559163
                   -1 :              -0.00051810350355
                   +0 :               0.00194683133951
                   +1 :              -0.00051810350355
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00046644964320
                   -1 :               0.00022874691444
                   +0 :              -0.00061105503483
                   +1 :               0.00022874691444
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000374261304
                   +0 :               0.00059132787084
                   +1 :              -0.00000374261304
                4f
                   -3 :               0.00030979766361
                   -2 :               0.00029524097905
                   -1 :               0.00000314490826
                   +0 :               0.00009065019264
                   +1 :               0.00000314490826
                   +2 :              -0.00000000000000
                   +3 :              -0.00030979766361
             14 vec=   -10.719566     -3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :               0.00023625427715
                   +0 :               0.00036311014355
                   +1 :              -0.00009914292301
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :               0.00064360204625
                   +0 :               0.00040088054544
                   +1 :              -0.00027906878452
                   +2 :              -0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :              -0.00007850069280
                   +0 :              -0.00028261874577
                   +1 :               0.00029388621328
                   +2 :              -0.00010521494298
                6p
                   -1 :               0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :               0.00024225964832
                4f
                   -3 :              -0.00014415176196
                   -2 :               0.00024457668780
                   -1 :               0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :               0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :              -0.00034110108135
             15 vec=   -10.719566      3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :              -0.00023625427715
                   +0 :               0.00036311014355
                   +1 :              -0.00009914292301
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :              -0.00064360204625
                   +0 :               0.00040088054544
                   +1 :              -0.00027906878452
                   +2 :              -0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :               0.00007850069280
                   +0 :              -0.00028261874577
                   +1 :               0.00029388621328
                   +2 :              -0.00010521494298
                6p
                   -1 :              -0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :               0.00024225964832
                4f
                   -3 :               0.00014415176196
                   -2 :              -0.00024457668780
                   -1 :              -0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :               0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :              -0.00034110108135
             16 vec=    -3.573189    -10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :              -0.00009914292301
                   +0 :               0.00036311014355
                   +1 :               0.00023625427715
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :              -0.00027906878452
                   +0 :               0.00040088054544
                   +1 :               0.00064360204625
                   +2 :               0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :               0.00029388621328
                   +0 :              -0.00028261874577
                   +1 :              -0.00007850069280
                   +2 :               0.00010521494298
                6p
                   -1 :               0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :               0.00007323583832
                4f
                   -3 :               0.00034110108135
                   -2 :               0.00024457668780
                   -1 :               0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :               0.00001893863796
                   +2 :               0.00009759144614
                   +3 :               0.00014415176196
             17 vec=    -3.573189     10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :               0.00009914292301
                   +0 :               0.00036311014355
                   +1 :               0.00023625427715
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :               0.00027906878452
                   +0 :               0.00040088054544
                   +1 :               0.00064360204625
                   +2 :               0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :              -0.00029388621328
                   +0 :              -0.00028261874577
                   +1 :              -0.00007850069280
                   +2 :               0.00010521494298
                6p
                   -1 :              -0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :               0.00007323583832
                4f
                   -3 :              -0.00034110108135
                   -2 :              -0.00024457668780
                   -1 :              -0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :               0.00001893863796
                   +2 :               0.00009759144614
                   +3 :               0.00014415176196
             18 vec=     3.573189    -10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :              -0.00009914292301
                   +0 :               0.00036311014355
                   +1 :              -0.00023625427715
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :              -0.00027906878452
                   +0 :               0.00040088054544
                   +1 :              -0.00064360204625
                   +2 :               0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :               0.00029388621328
                   +0 :              -0.00028261874577
                   +1 :               0.00007850069280
                   +2 :               0.00010521494298
                6p
                   -1 :               0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :              -0.00007323583832
                4f
                   -3 :               0.00034110108135
                   -2 :              -0.00024457668780
                   -1 :               0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :              -0.00001893863796
                   +2 :               0.00009759144614
                   +3 :              -0.00014415176196
             19 vec=     3.573189     10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :               0.00009914292301
                   +0 :               0.00036311014355
                   +1 :              -0.00023625427715
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :               0.00027906878452
                   +0 :               0.00040088054544
                   +1 :              -0.00064360204625
                   +2 :               0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :              -0.00029388621328
                   +0 :              -0.00028261874577
                   +1 :               0.00007850069280
                   +2 :               0.00010521494298
                6p
                   -1 :              -0.00024225964832
                   +0 :              -0.00005263695282
                   +1 :              -0.00007323583832
                4f
                   -3 :              -0.00034110108135
                   -2 :               0.00024457668780
                   -1 :              -0.00027243878732
                   +0 :              -0.00041568867873
                   +1 :              -0.00001893863796
                   +2 :               0.00009759144614
                   +3 :              -0.00014415176196
             20 vec=    10.719566     -3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :               0.00023625427715
                   +0 :               0.00036311014355
                   +1 :               0.00009914292301
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :              -0.00032311087166
                   -1 :               0.00064360204625
                   +0 :               0.00040088054544
                   +1 :               0.00027906878452
                   +2 :              -0.00011582643128
                6d
                   -2 :               0.00003569165172
                   -1 :              -0.00007850069280
                   +0 :              -0.00028261874577
                   +1 :              -0.00029388621328
                   +2 :              -0.00010521494298
                6p
                   -1 :               0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :              -0.00024225964832
                4f
                   -3 :              -0.00014415176196
                   -2 :              -0.00024457668780
                   -1 :               0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :              -0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :               0.00034110108135
             21 vec=    10.719566      3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00050311390714
                5p
                   -1 :              -0.00023625427715
                   +0 :               0.00036311014355
                   +1 :               0.00009914292301
                6s
                   +0 :              -0.00109878203337
                7s
                   +0 :               0.00019315203612
                5d
                   -2 :               0.00032311087166
                   -1 :              -0.00064360204625
                   +0 :               0.00040088054544
                   +1 :               0.00027906878452
                   +2 :              -0.00011582643128
                6d
                   -2 :              -0.00003569165172
                   -1 :               0.00007850069280
                   +0 :              -0.00028261874577
                   +1 :              -0.00029388621328
                   +2 :              -0.00010521494298
                6p
                   -1 :              -0.00007323583832
                   +0 :              -0.00005263695282
                   +1 :              -0.00024225964832
                4f
                   -3 :               0.00014415176196
                   -2 :               0.00024457668780
                   -1 :              -0.00001893863796
                   +0 :              -0.00041568867873
                   +1 :              -0.00027243878732
                   +2 :              -0.00009759144614
                   +3 :               0.00034110108135
             22 vec=   -14.292755      0.000000     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00007649736299
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00003847176815
                   +1 :               0.00008985365501
                6s
                   +0 :               0.00008204473534
                7s
                   +0 :              -0.00000699451744
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00011626755041
                   +1 :               0.00002367575224
                   +2 :               0.00003035927330
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003887650758
                   +1 :              -0.00004213854746
                   +2 :               0.00000291269551
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00003431523321
                   +1 :              -0.00001472056698
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004680483285
                   +1 :               0.00013359167044
                   +2 :               0.00002394628951
                   +3 :              -0.00006275840141
             23 vec=     0.000000    -14.292755     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00007649736299
                5p
                   -1 :               0.00008985365501
                   +0 :               0.00003847176815
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00008204473534
                7s
                   +0 :              -0.00000699451744
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00002367575224
                   +0 :               0.00011626755041
                   +1 :               0.00000000000000
                   +2 :              -0.00003035927330
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00004213854746
                   +0 :              -0.00003887650758
                   +1 :               0.00000000000000
                   +2 :              -0.00000291269551
                6p
                   -1 :              -0.00001472056698
                   +0 :              -0.00003431523321
                   +1 :               0.00000000000000
                4f
                   -3 :               0.00006275840141
                   -2 :              -0.00000000000000
                   -1 :               0.00013359167044
                   +0 :              -0.00004680483285
                   +1 :              -0.00000000000000
                   +2 :              -0.00002394628951
                   +3 :               0.00000000000000
             24 vec=     0.000000     14.292755     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00007649736299
                5p
                   -1 :              -0.00008985365501
                   +0 :               0.00003847176815
                   +1 :              -0.00000000000000
                6s
                   +0 :               0.00008204473534
                7s
                   +0 :              -0.00000699451744
                5d
                   -1 :              -0.00002367575224
                   +0 :               0.00011626755041
                   +1 :              -0.00000000000000
                   +2 :              -0.00003035927330
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00004213854746
                   +0 :              -0.00003887650758
                   +1 :               0.00000000000000
                   +2 :              -0.00000291269551
                6p
                   -1 :               0.00001472056698
                   +0 :              -0.00003431523321
                   +1 :               0.00000000000000
                4f
                   -3 :              -0.00006275840141
                   -2 :               0.00000000000000
                   -1 :              -0.00013359167044
                   +0 :              -0.00004680483285
                   +1 :               0.00000000000000
                   +2 :              -0.00002394628951
                   +3 :               0.00000000000000
             25 vec=    14.292755      0.000000     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00007649736299
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00003847176815
                   +1 :              -0.00008985365501
                6s
                   +0 :               0.00008204473534
                7s
                   +0 :              -0.00000699451744
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00011626755041
                   +1 :              -0.00002367575224
                   +2 :               0.00003035927330
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00003887650758
                   +1 :               0.00004213854746
                   +2 :               0.00000291269551
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00003431523321
                   +1 :               0.00001472056698
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004680483285
                   +1 :              -0.00013359167044
                   +2 :               0.00002394628951
                   +3 :               0.00006275840141
             26 vec=   -14.292755     -7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :               0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :               0.00003445674375
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :              -0.00002985427358
                   +0 :               0.00001630310348
                   +1 :               0.00009595788287
                   +2 :               0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :               0.00000636921465
                   +0 :               0.00001200777944
                   +1 :              -0.00004556490882
                   +2 :              -0.00007410053854
                6p
                   -1 :              -0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :              -0.00005111548730
                4f
                   -3 :               0.00000229155732
                   -2 :              -0.00005021851772
                   -1 :               0.00005513886070
                   +0 :               0.00004371744064
                   +1 :              -0.00001453041931
                   +2 :               0.00006001987547
                   +3 :               0.00001126034703
             27 vec=   -14.292755      7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :              -0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :               0.00003445674375
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :               0.00002985427358
                   +0 :               0.00001630310348
                   +1 :               0.00009595788287
                   +2 :               0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :              -0.00000636921465
                   +0 :               0.00001200777944
                   +1 :              -0.00004556490882
                   +2 :              -0.00007410053854
                6p
                   -1 :               0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :              -0.00005111548730
                4f
                   -3 :              -0.00000229155732
                   -2 :               0.00005021851772
                   -1 :              -0.00005513886070
                   +0 :               0.00004371744064
                   +1 :              -0.00001453041931
                   +2 :               0.00006001987547
                   +3 :               0.00001126034703
             28 vec=    -7.146377    -14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :               0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :               0.00004680934631
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :               0.00009595788287
                   +0 :               0.00001630310348
                   +1 :              -0.00002985427358
                   +2 :              -0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :              -0.00004556490882
                   +0 :               0.00001200777944
                   +1 :               0.00000636921465
                   +2 :               0.00007410053854
                6p
                   -1 :              -0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :              -0.00002635372131
                4f
                   -3 :              -0.00001126034703
                   -2 :              -0.00005021851772
                   -1 :              -0.00001453041931
                   +0 :               0.00004371744064
                   +1 :               0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :              -0.00000229155732
             29 vec=    -7.146377     14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :              -0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :               0.00004680934631
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :              -0.00009595788287
                   +0 :               0.00001630310348
                   +1 :              -0.00002985427358
                   +2 :              -0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :               0.00004556490882
                   +0 :               0.00001200777944
                   +1 :               0.00000636921465
                   +2 :               0.00007410053854
                6p
                   -1 :               0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :              -0.00002635372131
                4f
                   -3 :               0.00001126034703
                   -2 :               0.00005021851772
                   -1 :               0.00001453041931
                   +0 :               0.00004371744064
                   +1 :               0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :              -0.00000229155732
             30 vec=     7.146377    -14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :               0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :              -0.00004680934631
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :               0.00009595788287
                   +0 :               0.00001630310348
                   +1 :               0.00002985427358
                   +2 :              -0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :              -0.00004556490882
                   +0 :               0.00001200777944
                   +1 :              -0.00000636921465
                   +2 :               0.00007410053854
                6p
                   -1 :              -0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :               0.00002635372131
                4f
                   -3 :              -0.00001126034703
                   -2 :               0.00005021851772
                   -1 :              -0.00001453041931
                   +0 :               0.00004371744064
                   +1 :              -0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :               0.00000229155732
             31 vec=     7.146377     14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :              -0.00003445674375
                   +0 :              -0.00000472254007
                   +1 :              -0.00004680934631
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :              -0.00009595788287
                   +0 :               0.00001630310348
                   +1 :               0.00002985427358
                   +2 :              -0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :               0.00004556490882
                   +0 :               0.00001200777944
                   +1 :              -0.00000636921465
                   +2 :               0.00007410053854
                6p
                   -1 :               0.00005111548730
                   +0 :              -0.00000425119757
                   +1 :               0.00002635372131
                4f
                   -3 :               0.00001126034703
                   -2 :              -0.00005021851772
                   -1 :               0.00001453041931
                   +0 :               0.00004371744064
                   +1 :              -0.00005513886070
                   +2 :              -0.00006001987547
                   +3 :               0.00000229155732
             32 vec=    14.292755     -7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :               0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :              -0.00003445674375
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :               0.00002295314286
                   -1 :              -0.00002985427358
                   +0 :               0.00001630310348
                   +1 :              -0.00009595788287
                   +2 :               0.00002670345238
                6d
                   -2 :               0.00001228517429
                   -1 :               0.00000636921465
                   +0 :               0.00001200777944
                   +1 :               0.00004556490882
                   +2 :              -0.00007410053854
                6p
                   -1 :              -0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :               0.00005111548730
                4f
                   -3 :               0.00000229155732
                   -2 :               0.00005021851772
                   -1 :               0.00005513886070
                   +0 :               0.00004371744064
                   +1 :               0.00001453041931
                   +2 :               0.00006001987547
                   +3 :              -0.00001126034703
             33 vec=    14.292755      7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00001869924282
                5p
                   -1 :              -0.00004680934631
                   +0 :              -0.00000472254007
                   +1 :              -0.00003445674375
                6s
                   +0 :               0.00005637870095
                7s
                   +0 :               0.00004018927950
                5d
                   -2 :              -0.00002295314286
                   -1 :               0.00002985427358
                   +0 :               0.00001630310348
                   +1 :              -0.00009595788287
                   +2 :               0.00002670345238
                6d
                   -2 :              -0.00001228517429
                   -1 :              -0.00000636921465
                   +0 :               0.00001200777944
                   +1 :               0.00004556490882
                   +2 :              -0.00007410053854
                6p
                   -1 :               0.00002635372131
                   +0 :              -0.00000425119757
                   +1 :               0.00005111548730
                4f
                   -3 :              -0.00000229155732
                   -2 :              -0.00005021851772
                   -1 :              -0.00005513886070
                   +0 :               0.00004371744064
                   +1 :               0.00001453041931
                   +2 :               0.00006001987547
                   +3 :              -0.00001126034703
             34 vec=   -10.719566    -10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00003163496541
                5p
                   -1 :              -0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :              -0.00000802494112
                6s
                   +0 :              -0.00014055022541
                7s
                   +0 :               0.00001606955351
                5d
                   -2 :              -0.00008014170710
                   -1 :               0.00005779666418
                   +0 :               0.00000729865627
                   +1 :               0.00005779666418
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004395356684
                   -1 :              -0.00006570478213
                   +0 :               0.00002349422732
                   +1 :              -0.00006570478213
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00001347370690
                   +0 :               0.00000182288534
                   +1 :               0.00001347370690
                4f
                   -3 :              -0.00001244011057
                   -2 :               0.00012131044314
                   -1 :               0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :               0.00006480443766
                   +2 :              -0.00000000000000
                   +3 :               0.00001244011057
             35 vec=   -10.719566     10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00003163496541
                5p
                   -1 :               0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :              -0.00000802494112
                6s
                   +0 :              -0.00014055022541
                7s
                   +0 :               0.00001606955351
                5d
                   -2 :               0.00008014170710
                   -1 :              -0.00005779666418
                   +0 :               0.00000729865627
                   +1 :               0.00005779666418
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00004395356684
                   -1 :               0.00006570478213
                   +0 :               0.00002349422732
                   +1 :              -0.00006570478213
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00001347370690
                   +0 :               0.00000182288534
                   +1 :               0.00001347370690
                4f
                   -3 :               0.00001244011057
                   -2 :              -0.00012131044314
                   -1 :              -0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :               0.00006480443766
                   +2 :              -0.00000000000000
                   +3 :               0.00001244011057
             36 vec=    10.719566    -10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00003163496541
                5p
                   -1 :              -0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :               0.00000802494112
                6s
                   +0 :              -0.00014055022541
                7s
                   +0 :               0.00001606955351
                5d
                   -2 :               0.00008014170710
                   -1 :               0.00005779666418
                   +0 :               0.00000729865627
                   +1 :              -0.00005779666418
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004395356684
                   -1 :              -0.00006570478213
                   +0 :               0.00002349422732
                   +1 :               0.00006570478213
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00001347370690
                   +0 :               0.00000182288534
                   +1 :              -0.00001347370690
                4f
                   -3 :              -0.00001244011057
                   -2 :              -0.00012131044314
                   -1 :               0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :              -0.00006480443766
                   +2 :               0.00000000000000
                   +3 :              -0.00001244011057
             37 vec=    10.719566     10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00003163496541
                5p
                   -1 :               0.00000802494112
                   +0 :              -0.00001764364265
                   +1 :               0.00000802494112
                6s
                   +0 :              -0.00014055022541
                7s
                   +0 :               0.00001606955351
                5d
                   -2 :              -0.00008014170710
                   -1 :              -0.00005779666418
                   +0 :               0.00000729865627
                   +1 :              -0.00005779666418
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004395356684
                   -1 :               0.00006570478213
                   +0 :               0.00002349422732
                   +1 :               0.00006570478213
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00001347370690
                   +0 :               0.00000182288534
                   +1 :              -0.00001347370690
                4f
                   -3 :               0.00001244011057
                   -2 :               0.00012131044314
                   -1 :              -0.00006480443766
                   +0 :              -0.00010443711240
                   +1 :              -0.00006480443766
                   +2 :              -0.00000000000000
                   +3 :              -0.00001244011057
             38 vec=    -3.573189     -3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00002693156999
                5p
                   -1 :               0.00005606266160
                   +0 :               0.00002296332273
                   +1 :               0.00005606266160
                6s
                   +0 :               0.00006983989547
                7s
                   +0 :               0.00004455441063
                5d
                   -2 :               0.00019732882261
                   -1 :               0.00020512245834
                   +0 :               0.00020025039367
                   +1 :               0.00020512245834
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00009948345479
                   -1 :              -0.00006326627191
                   +0 :              -0.00006487485208
                   +1 :              -0.00006326627191
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :              -0.00004033060936
                4f
                   -3 :               0.00003685909404
                   -2 :              -0.00009433857622
                   -1 :               0.00014213764410
                   +0 :               0.00001327733966
                   +1 :               0.00014213764410
                   +2 :               0.00000000000000
                   +3 :              -0.00003685909404
             39 vec=    -3.573189      3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00002693156999
                5p
                   -1 :              -0.00005606266160
                   +0 :               0.00002296332273
                   +1 :               0.00005606266160
                6s
                   +0 :               0.00006983989547
                7s
                   +0 :               0.00004455441063
                5d
                   -2 :              -0.00019732882261
                   -1 :              -0.00020512245834
                   +0 :               0.00020025039367
                   +1 :               0.00020512245834
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00009948345479
                   -1 :               0.00006326627191
                   +0 :              -0.00006487485208
                   +1 :              -0.00006326627191
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :              -0.00004033060936
                4f
                   -3 :              -0.00003685909404
                   -2 :               0.00009433857622
                   -1 :              -0.00014213764410
                   +0 :               0.00001327733966
                   +1 :               0.00014213764410
                   +2 :               0.00000000000000
                   +3 :              -0.00003685909404
             40 vec=     3.573189     -3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00002693156999
                5p
                   -1 :               0.00005606266160
                   +0 :               0.00002296332273
                   +1 :              -0.00005606266160
                6s
                   +0 :               0.00006983989547
                7s
                   +0 :               0.00004455441063
                5d
                   -2 :              -0.00019732882261
                   -1 :               0.00020512245834
                   +0 :               0.00020025039367
                   +1 :              -0.00020512245834
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00009948345479
                   -1 :              -0.00006326627191
                   +0 :              -0.00006487485208
                   +1 :               0.00006326627191
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :               0.00004033060936
                4f
                   -3 :               0.00003685909404
                   -2 :               0.00009433857622
                   -1 :               0.00014213764410
                   +0 :               0.00001327733966
                   +1 :              -0.00014213764410
                   +2 :              -0.00000000000000
                   +3 :               0.00003685909404
             41 vec=     3.573189      3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00002693156999
                5p
                   -1 :              -0.00005606266160
                   +0 :               0.00002296332273
                   +1 :              -0.00005606266160
                6s
                   +0 :               0.00006983989547
                7s
                   +0 :               0.00004455441063
                5d
                   -2 :               0.00019732882261
                   -1 :              -0.00020512245834
                   +0 :               0.00020025039367
                   +1 :              -0.00020512245834
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00009948345479
                   -1 :               0.00006326627191
                   +0 :              -0.00006487485208
                   +1 :               0.00006326627191
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00004033060936
                   +0 :              -0.00005147975108
                   +1 :               0.00004033060936
                4f
                   -3 :              -0.00003685909404
                   -2 :              -0.00009433857622
                   -1 :              -0.00014213764410
                   +0 :               0.00001327733966
                   +1 :              -0.00014213764410
                   +2 :              -0.00000000000000
                   +3 :               0.00003685909404
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site Cu(  3)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                3s
                   +0 :              -0.00485790736569
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.02287469356658
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.08112538910836
                5s
                   +0 :              -0.00108684525379
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.04688367049728
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00880792968777
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.07276251094942
                   +1 :               0.00000000000000
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00073342459855
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00049501389297
                   +1 :               0.00131687607495
                4s
                   +0 :              -0.00943336124993
                5s
                   +0 :               0.00084240660117
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00029247378518
                   +1 :              -0.00404155641989
                   +2 :              -0.00156522891295
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000915921403
                   +1 :              -0.00057373737784
                   +2 :              -0.00050922461761
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00417945690811
                   +1 :               0.00202603700427
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00073342459855
                3p
                   -1 :               0.00131687607495
                   +0 :               0.00049501389297
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.00943336124993
                5s
                   +0 :               0.00084240660117
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00404155641989
                   +0 :              -0.00029247378518
                   +1 :               0.00000000000000
                   +2 :               0.00156522891295
                4d
                   -2 :               0.00000000000000
                   -1 :              -0.00057373737784
                   +0 :              -0.00000915921403
                   +1 :               0.00000000000000
                   +2 :               0.00050922461761
                4p
                   -1 :               0.00202603700427
                   +0 :               0.00417945690811
                   +1 :              -0.00000000000000
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00073342459855
                3p
                   -1 :              -0.00131687607495
                   +0 :               0.00049501389297
                   +1 :               0.00000000000000
                4s
                   +0 :              -0.00943336124993
                5s
                   +0 :               0.00084240660117
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00404155641989
                   +0 :              -0.00029247378518
                   +1 :              -0.00000000000000
                   +2 :               0.00156522891295
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00057373737784
                   +0 :              -0.00000915921403
                   +1 :              -0.00000000000000
                   +2 :               0.00050922461761
                4p
                   -1 :              -0.00202603700427
                   +0 :               0.00417945690811
                   +1 :               0.00000000000000
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00073342459855
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00049501389297
                   +1 :              -0.00131687607495
                4s
                   +0 :              -0.00943336124993
                5s
                   +0 :               0.00084240660117
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00029247378518
                   +1 :               0.00404155641989
                   +2 :              -0.00156522891295
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000915921403
                   +1 :               0.00057373737784
                   +2 :              -0.00050922461761
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00417945690811
                   +1 :              -0.00202603700427
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00022548421861
                3p
                   -1 :               0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :               0.00047657038081
                4s
                   +0 :               0.00004250450371
                5s
                   +0 :              -0.00004099886433
                3d
                   -2 :              -0.00109811044293
                   -1 :              -0.00012545059653
                   +0 :               0.00073949899245
                   +1 :              -0.00012545059653
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00004823381571
                   -1 :               0.00011126720677
                   +0 :              -0.00002750604815
                   +1 :               0.00011126720677
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :               0.00026082372251
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00022548421861
                3p
                   -1 :              -0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :               0.00047657038081
                4s
                   +0 :               0.00004250450371
                5s
                   +0 :              -0.00004099886433
                3d
                   -2 :               0.00109811044293
                   -1 :               0.00012545059653
                   +0 :               0.00073949899245
                   +1 :              -0.00012545059653
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00004823381571
                   -1 :              -0.00011126720677
                   +0 :              -0.00002750604815
                   +1 :               0.00011126720677
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :               0.00026082372251
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00022548421861
                3p
                   -1 :               0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :              -0.00047657038081
                4s
                   +0 :               0.00004250450371
                5s
                   +0 :              -0.00004099886433
                3d
                   -2 :               0.00109811044293
                   -1 :              -0.00012545059653
                   +0 :               0.00073949899245
                   +1 :               0.00012545059653
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00004823381571
                   -1 :               0.00011126720677
                   +0 :              -0.00002750604815
                   +1 :              -0.00011126720677
                4p
                   -1 :               0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :              -0.00026082372251
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00022548421861
                3p
                   -1 :              -0.00047657038081
                   +0 :              -0.00056139119042
                   +1 :              -0.00047657038081
                4s
                   +0 :               0.00004250450371
                5s
                   +0 :              -0.00004099886433
                3d
                   -2 :              -0.00109811044293
                   -1 :               0.00012545059653
                   +0 :               0.00073949899245
                   +1 :               0.00012545059653
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00004823381571
                   -1 :              -0.00011126720677
                   +0 :              -0.00002750604815
                   +1 :              -0.00011126720677
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00026082372251
                   +0 :              -0.00076643852667
                   +1 :              -0.00026082372251
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00000830183999
                3p
                   -1 :               0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :               0.00044658790610
                4s
                   +0 :              -0.00409610777719
                5s
                   +0 :               0.00103986656461
                3d
                   -2 :              -0.00045927251751
                   -1 :               0.00043824877245
                   +0 :              -0.00024018828699
                   +1 :               0.00043824877245
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00017444847340
                   -1 :               0.00016288818704
                   +0 :              -0.00019874966882
                   +1 :               0.00016288818704
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :              -0.00012289221940
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00000830183999
                3p
                   -1 :              -0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :               0.00044658790610
                4s
                   +0 :              -0.00409610777719
                5s
                   +0 :               0.00103986656461
                3d
                   -2 :               0.00045927251751
                   -1 :              -0.00043824877245
                   +0 :              -0.00024018828699
                   +1 :               0.00043824877245
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00017444847340
                   -1 :              -0.00016288818704
                   +0 :              -0.00019874966882
                   +1 :               0.00016288818704
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :              -0.00012289221940
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00000830183999
                3p
                   -1 :               0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :              -0.00044658790610
                4s
                   +0 :              -0.00409610777719
                5s
                   +0 :               0.00103986656461
                3d
                   -2 :               0.00045927251751
                   -1 :               0.00043824877245
                   +0 :              -0.00024018828699
                   +1 :              -0.00043824877245
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00017444847340
                   -1 :               0.00016288818704
                   +0 :              -0.00019874966882
                   +1 :              -0.00016288818704
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :               0.00012289221940
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00000830183999
                3p
                   -1 :              -0.00044658790610
                   +0 :              -0.00014013426811
                   +1 :              -0.00044658790610
                4s
                   +0 :              -0.00409610777719
                5s
                   +0 :               0.00103986656461
                3d
                   -2 :              -0.00045927251751
                   -1 :              -0.00043824877245
                   +0 :              -0.00024018828699
                   +1 :              -0.00043824877245
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00017444847340
                   -1 :              -0.00016288818704
                   +0 :              -0.00019874966882
                   +1 :              -0.00016288818704
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00012289221940
                   +0 :              -0.00071782510899
                   +1 :               0.00012289221940
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :               0.00003839159641
                   +0 :               0.00002875055753
                   +1 :               0.00002941793931
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :               0.00009274615276
                   +0 :               0.00001670416185
                   +1 :              -0.00006699037185
                   +2 :               0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :               0.00000379006740
                   +0 :              -0.00003990815402
                   +1 :              -0.00005169395177
                   +2 :               0.00004003271096
                4p
                   -1 :               0.00012646891795
                   +0 :               0.00009683538782
                   +1 :              -0.00052611423992
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :              -0.00003839159641
                   +0 :               0.00002875055753
                   +1 :               0.00002941793931
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :              -0.00009274615276
                   +0 :               0.00001670416185
                   +1 :              -0.00006699037185
                   +2 :               0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :              -0.00000379006740
                   +0 :              -0.00003990815402
                   +1 :              -0.00005169395177
                   +2 :               0.00004003271096
                4p
                   -1 :              -0.00012646891795
                   +0 :               0.00009683538782
                   +1 :              -0.00052611423992
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :               0.00002941793931
                   +0 :               0.00002875055753
                   +1 :               0.00003839159641
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :              -0.00006699037185
                   +0 :               0.00001670416185
                   +1 :               0.00009274615276
                   +2 :              -0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :              -0.00005169395177
                   +0 :              -0.00003990815402
                   +1 :               0.00000379006740
                   +2 :              -0.00004003271096
                4p
                   -1 :              -0.00052611423992
                   +0 :               0.00009683538782
                   +1 :               0.00012646891795
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :              -0.00002941793931
                   +0 :               0.00002875055753
                   +1 :               0.00003839159641
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :               0.00006699037185
                   +0 :               0.00001670416185
                   +1 :               0.00009274615276
                   +2 :              -0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :               0.00005169395177
                   +0 :              -0.00003990815402
                   +1 :               0.00000379006740
                   +2 :              -0.00004003271096
                4p
                   -1 :               0.00052611423992
                   +0 :               0.00009683538782
                   +1 :               0.00012646891795
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :               0.00002941793931
                   +0 :               0.00002875055753
                   +1 :              -0.00003839159641
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :              -0.00006699037185
                   +0 :               0.00001670416185
                   +1 :              -0.00009274615276
                   +2 :              -0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :              -0.00005169395177
                   +0 :              -0.00003990815402
                   +1 :              -0.00000379006740
                   +2 :              -0.00004003271096
                4p
                   -1 :              -0.00052611423992
                   +0 :               0.00009683538782
                   +1 :              -0.00012646891795
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :              -0.00002941793931
                   +0 :               0.00002875055753
                   +1 :              -0.00003839159641
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :               0.00006699037185
                   +0 :               0.00001670416185
                   +1 :              -0.00009274615276
                   +2 :              -0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :               0.00005169395177
                   +0 :              -0.00003990815402
                   +1 :              -0.00000379006740
                   +2 :              -0.00004003271096
                4p
                   -1 :               0.00052611423992
                   +0 :               0.00009683538782
                   +1 :              -0.00012646891795
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :               0.00003839159641
                   +0 :               0.00002875055753
                   +1 :              -0.00002941793931
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :               0.00024993801670
                   -1 :               0.00009274615276
                   +0 :               0.00001670416185
                   +1 :               0.00006699037185
                   +2 :               0.00015880711862
                4d
                   -2 :               0.00001025425988
                   -1 :               0.00000379006740
                   +0 :              -0.00003990815402
                   +1 :               0.00005169395177
                   +2 :               0.00004003271096
                4p
                   -1 :               0.00012646891795
                   +0 :               0.00009683538782
                   +1 :               0.00052611423992
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00001826267147
                3p
                   -1 :              -0.00003839159641
                   +0 :               0.00002875055753
                   +1 :              -0.00002941793931
                4s
                   +0 :               0.00061665232357
                5s
                   +0 :               0.00023684972597
                3d
                   -2 :              -0.00024993801670
                   -1 :              -0.00009274615276
                   +0 :               0.00001670416185
                   +1 :               0.00006699037185
                   +2 :               0.00015880711862
                4d
                   -2 :              -0.00001025425988
                   -1 :              -0.00000379006740
                   +0 :              -0.00003990815402
                   +1 :               0.00005169395177
                   +2 :               0.00004003271096
                4p
                   -1 :              -0.00012646891795
                   +0 :               0.00009683538782
                   +1 :               0.00052611423992
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00013786280606
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000614483710
                   +1 :               0.00004081603122
                4s
                   +0 :               0.00061882883358
                5s
                   +0 :              -0.00012974646942
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004490168713
                   +1 :               0.00034918687895
                   +2 :              -0.00009252264461
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001984936897
                   +1 :              -0.00000869796493
                   +2 :               0.00000441496569
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00013932223290
                   +1 :              -0.00011181989520
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00013786280606
                3p
                   -1 :               0.00004081603122
                   +0 :              -0.00000614483710
                   +1 :              -0.00000000000000
                4s
                   +0 :               0.00061882883358
                5s
                   +0 :              -0.00012974646942
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00034918687895
                   +0 :               0.00004490168713
                   +1 :              -0.00000000000000
                   +2 :               0.00009252264461
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000869796493
                   +0 :               0.00001984936897
                   +1 :              -0.00000000000000
                   +2 :              -0.00000441496569
                4p
                   -1 :              -0.00011181989520
                   +0 :              -0.00013932223290
                   +1 :               0.00000000000000
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00013786280606
                3p
                   -1 :              -0.00004081603122
                   +0 :              -0.00000614483710
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00061882883358
                5s
                   +0 :              -0.00012974646942
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00034918687895
                   +0 :               0.00004490168713
                   +1 :               0.00000000000000
                   +2 :               0.00009252264461
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000869796493
                   +0 :               0.00001984936897
                   +1 :               0.00000000000000
                   +2 :              -0.00000441496569
                4p
                   -1 :               0.00011181989520
                   +0 :              -0.00013932223290
                   +1 :              -0.00000000000000
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00013786280606
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000614483710
                   +1 :              -0.00004081603122
                4s
                   +0 :               0.00061882883358
                5s
                   +0 :              -0.00012974646942
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00004490168713
                   +1 :              -0.00034918687895
                   +2 :              -0.00009252264461
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001984936897
                   +1 :               0.00000869796493
                   +2 :               0.00000441496569
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00013932223290
                   +1 :               0.00011181989520
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :              -0.00000923381081
                   +0 :               0.00000047770990
                   +1 :               0.00005655184935
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :              -0.00005093947381
                   +0 :               0.00002962906089
                   +1 :              -0.00009648430499
                   +2 :              -0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :               0.00001364496087
                   +0 :               0.00001433191113
                   +1 :              -0.00002555049757
                   +2 :               0.00001003584341
                4p
                   -1 :              -0.00003383663124
                   +0 :               0.00006407679893
                   +1 :              -0.00000601721886
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :               0.00000923381081
                   +0 :               0.00000047770990
                   +1 :               0.00005655184935
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :               0.00005093947381
                   +0 :               0.00002962906089
                   +1 :              -0.00009648430499
                   +2 :              -0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :              -0.00001364496087
                   +0 :               0.00001433191113
                   +1 :              -0.00002555049757
                   +2 :               0.00001003584341
                4p
                   -1 :               0.00003383663124
                   +0 :               0.00006407679893
                   +1 :              -0.00000601721886
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :               0.00005655184935
                   +0 :               0.00000047770990
                   +1 :              -0.00000923381081
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :              -0.00009648430499
                   +0 :               0.00002962906089
                   +1 :              -0.00005093947381
                   +2 :               0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :              -0.00002555049757
                   +0 :               0.00001433191113
                   +1 :               0.00001364496087
                   +2 :              -0.00001003584341
                4p
                   -1 :              -0.00000601721886
                   +0 :               0.00006407679893
                   +1 :              -0.00003383663124
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :              -0.00005655184935
                   +0 :               0.00000047770990
                   +1 :              -0.00000923381081
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :               0.00009648430499
                   +0 :               0.00002962906089
                   +1 :              -0.00005093947381
                   +2 :               0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :               0.00002555049757
                   +0 :               0.00001433191113
                   +1 :               0.00001364496087
                   +2 :              -0.00001003584341
                4p
                   -1 :               0.00000601721886
                   +0 :               0.00006407679893
                   +1 :              -0.00003383663124
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :               0.00005655184935
                   +0 :               0.00000047770990
                   +1 :               0.00000923381081
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :              -0.00009648430499
                   +0 :               0.00002962906089
                   +1 :               0.00005093947381
                   +2 :               0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :              -0.00002555049757
                   +0 :               0.00001433191113
                   +1 :              -0.00001364496087
                   +2 :              -0.00001003584341
                4p
                   -1 :              -0.00000601721886
                   +0 :               0.00006407679893
                   +1 :               0.00003383663124
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :              -0.00005655184935
                   +0 :               0.00000047770990
                   +1 :               0.00000923381081
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :               0.00009648430499
                   +0 :               0.00002962906089
                   +1 :               0.00005093947381
                   +2 :               0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :               0.00002555049757
                   +0 :               0.00001433191113
                   +1 :              -0.00001364496087
                   +2 :              -0.00001003584341
                4p
                   -1 :               0.00000601721886
                   +0 :               0.00006407679893
                   +1 :               0.00003383663124
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :              -0.00000923381081
                   +0 :               0.00000047770990
                   +1 :              -0.00005655184935
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :              -0.00001767901392
                   -1 :              -0.00005093947381
                   +0 :               0.00002962906089
                   +1 :               0.00009648430499
                   +2 :              -0.00009826278428
                4d
                   -2 :               0.00001697746876
                   -1 :               0.00001364496087
                   +0 :               0.00001433191113
                   +1 :               0.00002555049757
                   +2 :               0.00001003584341
                4p
                   -1 :              -0.00003383663124
                   +0 :               0.00006407679893
                   +1 :               0.00000601721886
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00006048996734
                3p
                   -1 :               0.00000923381081
                   +0 :               0.00000047770990
                   +1 :              -0.00005655184935
                4s
                   +0 :              -0.00010582800295
                5s
                   +0 :               0.00003337701135
                3d
                   -2 :               0.00001767901392
                   -1 :               0.00005093947381
                   +0 :               0.00002962906089
                   +1 :               0.00009648430499
                   +2 :              -0.00009826278428
                4d
                   -2 :              -0.00001697746876
                   -1 :              -0.00001364496087
                   +0 :               0.00001433191113
                   +1 :               0.00002555049757
                   +2 :               0.00001003584341
                4p
                   -1 :               0.00003383663124
                   +0 :               0.00006407679893
                   +1 :               0.00000601721886
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00001014713262
                3p
                   -1 :              -0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :              -0.00001581085814
                4s
                   +0 :               0.00034991407866
                5s
                   +0 :               0.00005097501670
                3d
                   -2 :               0.00003185257824
                   -1 :               0.00007515980063
                   +0 :               0.00000876552360
                   +1 :               0.00007515980063
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00002784808464
                   -1 :               0.00001584645189
                   +0 :               0.00001070004177
                   +1 :               0.00001584645189
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :              -0.00007623466135
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00001014713262
                3p
                   -1 :               0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :              -0.00001581085814
                4s
                   +0 :               0.00034991407866
                5s
                   +0 :               0.00005097501670
                3d
                   -2 :              -0.00003185257824
                   -1 :              -0.00007515980063
                   +0 :               0.00000876552360
                   +1 :               0.00007515980063
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00002784808464
                   -1 :              -0.00001584645189
                   +0 :               0.00001070004177
                   +1 :               0.00001584645189
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :              -0.00007623466135
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00001014713262
                3p
                   -1 :              -0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :               0.00001581085814
                4s
                   +0 :               0.00034991407866
                5s
                   +0 :               0.00005097501670
                3d
                   -2 :              -0.00003185257824
                   -1 :               0.00007515980063
                   +0 :               0.00000876552360
                   +1 :              -0.00007515980063
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00002784808464
                   -1 :               0.00001584645189
                   +0 :               0.00001070004177
                   +1 :              -0.00001584645189
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :               0.00007623466135
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00001014713262
                3p
                   -1 :               0.00001581085814
                   +0 :              -0.00000418420206
                   +1 :               0.00001581085814
                4s
                   +0 :               0.00034991407866
                5s
                   +0 :               0.00005097501670
                3d
                   -2 :               0.00003185257824
                   -1 :              -0.00007515980063
                   +0 :               0.00000876552360
                   +1 :              -0.00007515980063
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00002784808464
                   -1 :              -0.00001584645189
                   +0 :               0.00001070004177
                   +1 :              -0.00001584645189
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00007623466135
                   +0 :              -0.00006239793316
                   +1 :               0.00007623466135
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00001630811892
                3p
                   -1 :               0.00002915084697
                   +0 :               0.00000764743071
                   +1 :               0.00002915084697
                4s
                   +0 :               0.00005207846865
                5s
                   +0 :              -0.00008293236845
                3d
                   -2 :              -0.00015689715368
                   -1 :              -0.00000970877634
                   +0 :               0.00004361100434
                   +1 :              -0.00000970877634
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00003314802610
                   -1 :               0.00001474956185
                   +0 :              -0.00002081916254
                   +1 :               0.00001474956185
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000006128396
                   +0 :               0.00001194549437
                   +1 :               0.00000006128396
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00001630811892
                3p
                   -1 :              -0.00002915084697
                   +0 :               0.00000764743071
                   +1 :               0.00002915084697
                4s
                   +0 :               0.00005207846865
                5s
                   +0 :              -0.00008293236845
                3d
                   -2 :               0.00015689715368
                   -1 :               0.00000970877634
                   +0 :               0.00004361100434
                   +1 :              -0.00000970877634
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00003314802610
                   -1 :              -0.00001474956185
                   +0 :              -0.00002081916254
                   +1 :               0.00001474956185
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000006128396
                   +0 :               0.00001194549437
                   +1 :               0.00000006128396
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00001630811892
                3p
                   -1 :               0.00002915084697
                   +0 :               0.00000764743071
                   +1 :              -0.00002915084697
                4s
                   +0 :               0.00005207846865
                5s
                   +0 :              -0.00008293236845
                3d
                   -2 :               0.00015689715368
                   -1 :              -0.00000970877634
                   +0 :               0.00004361100434
                   +1 :               0.00000970877634
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00003314802610
                   -1 :               0.00001474956185
                   +0 :              -0.00002081916254
                   +1 :              -0.00001474956185
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000006128396
                   +0 :               0.00001194549437
                   +1 :              -0.00000006128396
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00001630811892
                3p
                   -1 :              -0.00002915084697
                   +0 :               0.00000764743071
                   +1 :              -0.00002915084697
                4s
                   +0 :               0.00005207846865
                5s
                   +0 :              -0.00008293236845
                3d
                   -2 :              -0.00015689715368
                   -1 :               0.00000970877634
                   +0 :               0.00004361100434
                   +1 :               0.00000970877634
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00003314802610
                   -1 :              -0.00001474956185
                   +0 :              -0.00002081916254
                   +1 :              -0.00001474956185
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000006128396
                   +0 :               0.00001194549437
                   +1 :              -0.00000006128396
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site O (  4)  npairs=  34
              1 vec=     0.000000     -3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00275755345302
                2s
                   +0 :               0.04296578122406
                3s
                   +0 :              -0.00820262683888
                2p
                   -1 :              -0.03120738707562
                   +0 :               0.02934018635667
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00775659358021
                   +0 :              -0.00521267436107
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00167497329978
                   +0 :               0.00040104585959
                   +1 :               0.00000000000000
                   +2 :              -0.00134069066338
              2 vec=     0.000000      3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00275755345302
                2s
                   +0 :               0.04296578122406
                3s
                   +0 :              -0.00820262683888
                2p
                   -1 :               0.03120738707562
                   +0 :               0.02934018635667
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00775659358021
                   +0 :              -0.00521267436107
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00167497329978
                   +0 :               0.00040104585959
                   +1 :              -0.00000000000000
                   +2 :              -0.00134069066338
              3 vec=    -3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00048837733227
                2s
                   +0 :              -0.01830280451495
                3s
                   +0 :              -0.00008797208239
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00143257657310
                   +1 :               0.01411917084430
                3p
                   +0 :               0.00039557539183
                   +1 :              -0.00033879974949
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00064524800638
                   +1 :              -0.00099470283626
                   +2 :              -0.00114279937928
              4 vec=     3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00048837733227
                2s
                   +0 :              -0.01830280451495
                3s
                   +0 :              -0.00008797208239
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00143257657310
                   +1 :              -0.01411917084430
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00039557539183
                   +1 :               0.00033879974949
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00064524800638
                   +1 :               0.00099470283626
                   +2 :              -0.00114279937928
              5 vec=    -7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :              -0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :               0.00361677407801
                3p
                   -1 :               0.00083846192309
                   +0 :               0.00203365673031
                   +1 :              -0.00224912385671
                3d
                   -2 :              -0.00005426538599
                   -1 :               0.00018020020050
                   +0 :               0.00005480608517
                   +1 :              -0.00034180220360
                   +2 :              -0.00004206010516
              6 vec=    -7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :               0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :               0.00361677407801
                3p
                   -1 :              -0.00083846192309
                   +0 :               0.00203365673031
                   +1 :              -0.00224912385671
                3d
                   -2 :               0.00005426538599
                   -1 :              -0.00018020020050
                   +0 :               0.00005480608517
                   +1 :              -0.00034180220360
                   +2 :              -0.00004206010516
              7 vec=     7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :              -0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :              -0.00361677407801
                3p
                   -1 :               0.00083846192309
                   +0 :               0.00203365673031
                   +1 :               0.00224912385671
                3d
                   -2 :               0.00005426538599
                   -1 :               0.00018020020050
                   +0 :               0.00005480608517
                   +1 :               0.00034180220360
                   +2 :              -0.00004206010516
              8 vec=     7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :               0.00215535572070
                   +0 :              -0.00294699371216
                   +1 :              -0.00361677407801
                3p
                   -1 :              -0.00083846192309
                   +0 :               0.00203365673031
                   +1 :               0.00224912385671
                3d
                   -2 :              -0.00005426538599
                   -1 :              -0.00018020020050
                   +0 :               0.00005480608517
                   +1 :               0.00034180220360
                   +2 :              -0.00004206010516
              9 vec=    -3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :               0.00150890478194
                   +0 :               0.00101335006024
                   +1 :               0.00129452954952
                3p
                   -1 :               0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :              -0.00002827411502
                3d
                   -2 :              -0.00011797595270
                   -1 :              -0.00005328982595
                   +0 :               0.00006702227102
                   +1 :              -0.00000229218989
                   +2 :               0.00002920046587
             10 vec=    -3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :              -0.00150890478194
                   +0 :               0.00101335006024
                   +1 :               0.00129452954952
                3p
                   -1 :              -0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :              -0.00002827411502
                3d
                   -2 :               0.00011797595270
                   -1 :               0.00005328982595
                   +0 :               0.00006702227102
                   +1 :              -0.00000229218989
                   +2 :               0.00002920046587
             11 vec=     3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :               0.00150890478194
                   +0 :               0.00101335006024
                   +1 :              -0.00129452954952
                3p
                   -1 :               0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :               0.00002827411502
                3d
                   -2 :               0.00011797595270
                   -1 :              -0.00005328982595
                   +0 :               0.00006702227102
                   +1 :               0.00000229218989
                   +2 :               0.00002920046587
             12 vec=     3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :              -0.00150890478194
                   +0 :               0.00101335006024
                   +1 :              -0.00129452954952
                3p
                   -1 :              -0.00031092104568
                   +0 :              -0.00003370185997
                   +1 :               0.00002827411502
                3d
                   -2 :              -0.00011797595270
                   -1 :               0.00005328982595
                   +0 :               0.00006702227102
                   +1 :               0.00000229218989
                   +2 :               0.00002920046587
             13 vec=     0.000000    -10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00013117289286
                2s
                   +0 :               0.00080522976029
                3s
                   +0 :              -0.00053343526613
                2p
                   -1 :              -0.00106036030358
                   +0 :              -0.00104664717165
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00056892919901
                   +0 :               0.00025330541622
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00006370887149
                   +0 :              -0.00001152363538
                   +2 :              -0.00001611115836
             14 vec=     0.000000     10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00013117289286
                2s
                   +0 :               0.00080522976029
                3s
                   +0 :              -0.00053343526613
                2p
                   -1 :               0.00106036030358
                   +0 :              -0.00104664717165
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00056892919901
                   +0 :               0.00025330541622
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00006370887149
                   +0 :              -0.00001152363538
                   +1 :               0.00000000000000
                   +2 :              -0.00001611115836
             15 vec=   -10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00002294027026
                2s
                   +0 :              -0.00036912029420
                3s
                   +0 :               0.00041508434313
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00018024841840
                   +1 :               0.00054008080390
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00057325677571
                   +1 :              -0.00079502003468
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003594309618
                   +1 :               0.00010802041162
                   +2 :               0.00009241037807
             16 vec=    10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00002294027026
                2s
                   +0 :              -0.00036912029420
                3s
                   +0 :               0.00041508434313
                2p
                   +0 :               0.00018024841840
                   +1 :              -0.00054008080390
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00057325677571
                   +1 :               0.00079502003468
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00003594309618
                   +1 :              -0.00010802041162
                   +2 :               0.00009241037807
             17 vec=    -7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :              -0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :              -0.00024457939494
                3p
                   -1 :               0.00048672338293
                   +0 :               0.00016832483637
                   +1 :               0.00007360278256
                3d
                   -2 :               0.00001988183286
                   -1 :              -0.00001896092858
                   +0 :              -0.00000504426851
                   +1 :              -0.00003076166241
                   +2 :              -0.00003059045574
             18 vec=    -7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :               0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :              -0.00024457939494
                3p
                   -1 :              -0.00048672338293
                   +0 :               0.00016832483637
                   +1 :               0.00007360278256
                3d
                   -2 :              -0.00001988183286
                   -1 :               0.00001896092858
                   +0 :              -0.00000504426851
                   +1 :              -0.00003076166241
                   +2 :              -0.00003059045574
             19 vec=     7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :              -0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :               0.00024457939494
                3p
                   -1 :               0.00048672338293
                   +0 :               0.00016832483637
                   +1 :              -0.00007360278256
                3d
                   -2 :              -0.00001988183286
                   -1 :              -0.00001896092858
                   +0 :              -0.00000504426851
                   +1 :               0.00003076166241
                   +2 :              -0.00003059045574
             20 vec=     7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :               0.00107911006955
                   +0 :              -0.00006960215453
                   +1 :               0.00024457939494
                3p
                   -1 :              -0.00048672338293
                   +0 :               0.00016832483637
                   +1 :              -0.00007360278256
                3d
                   -2 :               0.00001988183286
                   -1 :               0.00001896092858
                   +0 :              -0.00000504426851
                   +1 :               0.00003076166241
                   +2 :              -0.00003059045574
             21 vec=   -10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :               0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :              -0.00019836854362
                3p
                   -1 :               0.00002965765764
                   +0 :               0.00011346300752
                   +1 :               0.00013213074865
                3d
                   -2 :              -0.00001435084872
                   -1 :               0.00000576483535
                   +0 :               0.00000692354408
                   +1 :              -0.00002943955078
                   +2 :              -0.00000009116324
             22 vec=   -10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :              -0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :              -0.00019836854362
                3p
                   -1 :              -0.00002965765764
                   +0 :               0.00011346300752
                   +1 :               0.00013213074865
                3d
                   -2 :               0.00001435084872
                   -1 :              -0.00000576483535
                   +0 :               0.00000692354408
                   +1 :              -0.00002943955078
                   +2 :              -0.00000009116324
             23 vec=    10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :               0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :               0.00019836854362
                3p
                   -1 :               0.00002965765764
                   +0 :               0.00011346300752
                   +1 :              -0.00013213074865
                3d
                   -2 :               0.00001435084872
                   -1 :               0.00000576483535
                   +0 :               0.00000692354408
                   +1 :               0.00002943955078
                   +2 :              -0.00000009116324
             24 vec=    10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :              -0.00023835069871
                   +0 :              -0.00015107482606
                   +1 :               0.00019836854362
                3p
                   -1 :              -0.00002965765764
                   +0 :               0.00011346300752
                   +1 :              -0.00013213074865
                3d
                   -2 :              -0.00001435084872
                   -1 :              -0.00000576483535
                   +0 :               0.00000692354408
                   +1 :               0.00002943955078
                   +2 :              -0.00000009116324
             25 vec=   -14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :               0.00003345846977
                   +0 :               0.00012567211775
                   +1 :              -0.00032330612955
                3p
                   -1 :              -0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :               0.00022615598703
                3d
                   -2 :              -0.00000904402808
                   -1 :              -0.00000052922382
                   +0 :              -0.00000598842117
                   +1 :               0.00001775063097
                   +2 :              -0.00001463755885
             26 vec=   -14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :              -0.00003345846977
                   +0 :               0.00012567211775
                   +1 :              -0.00032330612955
                3p
                   -1 :               0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :               0.00022615598703
                3d
                   -2 :               0.00000904402808
                   -1 :               0.00000052922382
                   +0 :              -0.00000598842117
                   +1 :               0.00001775063097
                   +2 :              -0.00001463755885
             27 vec=    14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :               0.00003345846977
                   +0 :               0.00012567211775
                   +1 :               0.00032330612955
                3p
                   -1 :              -0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :              -0.00022615598703
                3d
                   -2 :               0.00000904402808
                   -1 :              -0.00000052922382
                   +0 :              -0.00000598842117
                   +1 :              -0.00001775063097
                   +2 :              -0.00001463755885
             28 vec=    14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :              -0.00003345846977
                   +0 :               0.00012567211775
                   +1 :               0.00032330612955
                3p
                   -1 :               0.00002563488045
                   +0 :              -0.00012584529457
                   +1 :              -0.00022615598703
                3d
                   -2 :              -0.00000904402808
                   -1 :               0.00000052922382
                   +0 :              -0.00000598842117
                   +1 :              -0.00001775063097
                   +2 :              -0.00001463755885
             29 vec=    -3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :              -0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :              -0.00004058422996
                3p
                   -1 :               0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :               0.00000371426896
                3d
                   -2 :               0.00001103815690
                   -1 :               0.00000641816834
                   +0 :              -0.00000617644173
                   +1 :               0.00000649296603
                   +2 :               0.00000316351701
             30 vec=    -3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :               0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :              -0.00004058422996
                3p
                   -1 :              -0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :               0.00000371426896
                3d
                   -2 :              -0.00001103815690
                   -1 :              -0.00000641816834
                   +0 :              -0.00000617644173
                   +1 :               0.00000649296603
                   +2 :               0.00000316351701
             31 vec=     3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :              -0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :               0.00004058422996
                3p
                   -1 :               0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :              -0.00000371426896
                3d
                   -2 :              -0.00001103815690
                   -1 :               0.00000641816834
                   +0 :              -0.00000617644173
                   +1 :              -0.00000649296603
                   +2 :               0.00000316351701
             32 vec=     3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :               0.00001648288250
                   +0 :              -0.00001637031198
                   +1 :               0.00004058422996
                3p
                   -1 :              -0.00004918361333
                   +0 :              -0.00001278846168
                   +1 :              -0.00000371426896
                3d
                   -2 :               0.00001103815690
                   -1 :              -0.00000641816834
                   +0 :              -0.00000617644173
                   +1 :              -0.00000649296603
                   +2 :               0.00000316351701
             33 vec=    -3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002266536441
                2s
                   +0 :              -0.00026315556974
                3s
                   +0 :               0.00009827865367
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00007730724733
                   +1 :               0.00120224607526
                3p
                   +0 :               0.00005102619846
                   +1 :              -0.00037816134824
                3d
                   -2 :               0.00000000000000
                   +0 :               0.00002860585973
                   +1 :              -0.00003477213274
                   +2 :              -0.00002148028220
             34 vec=     3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002266536441
                2s
                   +0 :              -0.00026315556974
                3s
                   +0 :               0.00009827865367
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00007730724733
                   +1 :              -0.00120224607526
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00005102619846
                   +1 :               0.00037816134824
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00002860585973
                   +1 :               0.00003477213274
                   +2 :              -0.00002148028220
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site O (  5)  npairs=  34
              1 vec=    -3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00275755345302
                2s
                   +0 :               0.04296578122406
                3s
                   +0 :              -0.00820262683888
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.02934018635667
                   +1 :              -0.03120738707562
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00521267436107
                   +1 :               0.00775659358021
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00040104585959
                   +1 :              -0.00167497329978
                   +2 :               0.00134069066338
              2 vec=     3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00275755345302
                2s
                   +0 :               0.04296578122406
                3s
                   +0 :              -0.00820262683888
                2p
                   -1 :               0.00000000000000
                   +0 :               0.02934018635667
                   +1 :               0.03120738707562
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00521267436107
                   +1 :              -0.00775659358021
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00040104585959
                   +1 :               0.00167497329978
                   +2 :               0.00134069066338
              3 vec=     0.000000     -3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00048837733227
                2s
                   +0 :              -0.01830280451495
                3s
                   +0 :              -0.00008797208239
                2p
                   -1 :               0.01411917084430
                   +0 :               0.00143257657310
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00033879974949
                   +0 :               0.00039557539183
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00099470283626
                   +0 :               0.00064524800638
                   +1 :               0.00000000000000
                   +2 :               0.00114279937928
              4 vec=     0.000000      3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00048837733227
                2s
                   +0 :              -0.01830280451495
                3s
                   +0 :              -0.00008797208239
                2p
                   -1 :              -0.01411917084430
                   +0 :               0.00143257657310
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00033879974949
                   +0 :               0.00039557539183
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00099470283626
                   +0 :               0.00064524800638
                   +1 :              -0.00000000000000
                   +2 :               0.00114279937928
              5 vec=    -3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :               0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :              -0.00215535572070
                3p
                   -1 :              -0.00224912385671
                   +0 :               0.00203365673031
                   +1 :               0.00083846192309
                3d
                   -2 :              -0.00005426538599
                   -1 :              -0.00034180220360
                   +0 :               0.00005480608517
                   +1 :               0.00018020020050
                   +2 :               0.00004206010516
              6 vec=    -3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :              -0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :              -0.00215535572070
                3p
                   -1 :               0.00224912385671
                   +0 :               0.00203365673031
                   +1 :               0.00083846192309
                3d
                   -2 :               0.00005426538599
                   -1 :               0.00034180220360
                   +0 :               0.00005480608517
                   +1 :               0.00018020020050
                   +2 :               0.00004206010516
              7 vec=     3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :               0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :               0.00215535572070
                3p
                   -1 :              -0.00224912385671
                   +0 :               0.00203365673031
                   +1 :              -0.00083846192309
                3d
                   -2 :               0.00005426538599
                   -1 :              -0.00034180220360
                   +0 :               0.00005480608517
                   +1 :              -0.00018020020050
                   +2 :               0.00004206010516
              8 vec=     3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00026637874643
                2s
                   +0 :               0.00145081693718
                3s
                   +0 :               0.00046896260829
                2p
                   -1 :              -0.00361677407801
                   +0 :              -0.00294699371216
                   +1 :               0.00215535572070
                3p
                   -1 :               0.00224912385671
                   +0 :               0.00203365673031
                   +1 :              -0.00083846192309
                3d
                   -2 :              -0.00005426538599
                   -1 :               0.00034180220360
                   +0 :               0.00005480608517
                   +1 :              -0.00018020020050
                   +2 :               0.00004206010516
              9 vec=    -7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :               0.00129452954952
                   +0 :               0.00101335006024
                   +1 :               0.00150890478194
                3p
                   -1 :              -0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :               0.00031092104568
                3d
                   -2 :              -0.00011797595270
                   -1 :              -0.00000229218989
                   +0 :               0.00006702227102
                   +1 :              -0.00005328982595
                   +2 :              -0.00002920046587
             10 vec=    -7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :              -0.00129452954952
                   +0 :               0.00101335006024
                   +1 :               0.00150890478194
                3p
                   -1 :               0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :               0.00031092104568
                3d
                   -2 :               0.00011797595270
                   -1 :               0.00000229218989
                   +0 :               0.00006702227102
                   +1 :              -0.00005328982595
                   +2 :              -0.00002920046587
             11 vec=     7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :               0.00129452954952
                   +0 :               0.00101335006024
                   +1 :              -0.00150890478194
                3p
                   -1 :              -0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :              -0.00031092104568
                3d
                   -2 :               0.00011797595270
                   -1 :              -0.00000229218989
                   +0 :               0.00006702227102
                   +1 :               0.00005328982595
                   +2 :              -0.00002920046587
             12 vec=     7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00009482119202
                2s
                   +0 :              -0.00146988636123
                3s
                   +0 :               0.00010168946824
                2p
                   -1 :              -0.00129452954952
                   +0 :               0.00101335006024
                   +1 :              -0.00150890478194
                3p
                   -1 :               0.00002827411502
                   +0 :              -0.00003370185997
                   +1 :              -0.00031092104568
                3d
                   -2 :              -0.00011797595270
                   -1 :               0.00000229218989
                   +0 :               0.00006702227102
                   +1 :               0.00005328982595
                   +2 :              -0.00002920046587
             13 vec=   -10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00013117289286
                2s
                   +0 :               0.00080522976029
                3s
                   +0 :              -0.00053343526613
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00104664717165
                   +1 :              -0.00106036030358
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00025330541622
                   +1 :               0.00056892919901
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001152363538
                   +1 :               0.00006370887149
                   +2 :               0.00001611115836
             14 vec=    10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00013117289286
                2s
                   +0 :               0.00080522976029
                3s
                   +0 :              -0.00053343526613
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00104664717165
                   +1 :               0.00106036030358
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00025330541622
                   +1 :              -0.00056892919901
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00001152363538
                   +1 :              -0.00006370887149
                   +2 :               0.00001611115836
             15 vec=    -0.000000    -10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00002294027026
                2s
                   +0 :              -0.00036912029420
                3s
                   +0 :               0.00041508434313
                2p
                   -1 :               0.00054008080390
                   +0 :               0.00018024841840
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00079502003468
                   +0 :              -0.00057325677571
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00010802041162
                   +0 :               0.00003594309618
                   +1 :              -0.00000000000000
                   +2 :              -0.00009241037807
             16 vec=     0.000000     10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00002294027026
                2s
                   +0 :              -0.00036912029420
                3s
                   +0 :               0.00041508434313
                2p
                   -1 :              -0.00054008080390
                   +0 :               0.00018024841840
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00079502003468
                   +0 :              -0.00057325677571
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00010802041162
                   +0 :               0.00003594309618
                   +2 :              -0.00009241037807
             17 vec=   -10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :              -0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :              -0.00107911006955
                3p
                   -1 :               0.00007360278256
                   +0 :               0.00016832483637
                   +1 :               0.00048672338293
                3d
                   -2 :               0.00001988183286
                   -1 :              -0.00003076166241
                   +0 :              -0.00000504426851
                   +1 :              -0.00001896092858
                   +2 :               0.00003059045574
             18 vec=   -10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :               0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :              -0.00107911006955
                3p
                   -1 :              -0.00007360278256
                   +0 :               0.00016832483637
                   +1 :               0.00048672338293
                3d
                   -2 :              -0.00001988183286
                   -1 :               0.00003076166241
                   +0 :              -0.00000504426851
                   +1 :              -0.00001896092858
                   +2 :               0.00003059045574
             19 vec=    10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :              -0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :               0.00107911006955
                3p
                   -1 :               0.00007360278256
                   +0 :               0.00016832483637
                   +1 :              -0.00048672338293
                3d
                   -2 :              -0.00001988183286
                   -1 :              -0.00003076166241
                   +0 :              -0.00000504426851
                   +1 :               0.00001896092858
                   +2 :               0.00003059045574
             20 vec=    10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00013195315544
                2s
                   +0 :               0.00112750308558
                3s
                   +0 :              -0.00036963679511
                2p
                   -1 :               0.00024457939494
                   +0 :              -0.00006960215453
                   +1 :               0.00107911006955
                3p
                   -1 :              -0.00007360278256
                   +0 :               0.00016832483637
                   +1 :              -0.00048672338293
                3d
                   -2 :               0.00001988183286
                   -1 :               0.00003076166241
                   +0 :              -0.00000504426851
                   +1 :               0.00001896092858
                   +2 :               0.00003059045574
             21 vec=    -7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :              -0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :               0.00023835069871
                3p
                   -1 :               0.00013213074865
                   +0 :               0.00011346300752
                   +1 :               0.00002965765764
                3d
                   -2 :              -0.00001435084872
                   -1 :              -0.00002943955078
                   +0 :               0.00000692354408
                   +1 :               0.00000576483535
                   +2 :               0.00000009116324
             22 vec=    -7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :               0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :               0.00023835069871
                3p
                   -1 :              -0.00013213074865
                   +0 :               0.00011346300752
                   +1 :               0.00002965765764
                3d
                   -2 :               0.00001435084872
                   -1 :               0.00002943955078
                   +0 :               0.00000692354408
                   +1 :               0.00000576483535
                   +2 :               0.00000009116324
             23 vec=     7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :              -0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :              -0.00023835069871
                3p
                   -1 :               0.00013213074865
                   +0 :               0.00011346300752
                   +1 :              -0.00002965765764
                3d
                   -2 :               0.00001435084872
                   -1 :              -0.00002943955078
                   +0 :               0.00000692354408
                   +1 :              -0.00000576483535
                   +2 :               0.00000009116324
             24 vec=     7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00002271858844
                2s
                   +0 :              -0.00031527347716
                3s
                   +0 :              -0.00001501530294
                2p
                   -1 :               0.00019836854362
                   +0 :              -0.00015107482606
                   +1 :              -0.00023835069871
                3p
                   -1 :              -0.00013213074865
                   +0 :               0.00011346300752
                   +1 :              -0.00002965765764
                3d
                   -2 :              -0.00001435084872
                   -1 :               0.00002943955078
                   +0 :               0.00000692354408
                   +1 :              -0.00000576483535
                   +2 :               0.00000009116324
             25 vec=    -3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :              -0.00032330612955
                   +0 :               0.00012567211775
                   +1 :               0.00003345846977
                3p
                   -1 :               0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :              -0.00002563488045
                3d
                   -2 :              -0.00000904402808
                   -1 :               0.00001775063097
                   +0 :              -0.00000598842117
                   +1 :              -0.00000052922382
                   +2 :               0.00001463755885
             26 vec=    -3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :               0.00032330612955
                   +0 :               0.00012567211775
                   +1 :               0.00003345846977
                3p
                   -1 :              -0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :              -0.00002563488045
                3d
                   -2 :               0.00000904402808
                   -1 :              -0.00001775063097
                   +0 :              -0.00000598842117
                   +1 :              -0.00000052922382
                   +2 :               0.00001463755885
             27 vec=     3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :              -0.00032330612955
                   +0 :               0.00012567211775
                   +1 :              -0.00003345846977
                3p
                   -1 :               0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :               0.00002563488045
                3d
                   -2 :               0.00000904402808
                   -1 :               0.00001775063097
                   +0 :              -0.00000598842117
                   +1 :               0.00000052922382
                   +2 :               0.00001463755885
             28 vec=     3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000396015557
                2s
                   +0 :               0.00009115121271
                3s
                   +0 :              -0.00011451866943
                2p
                   -1 :               0.00032330612955
                   +0 :               0.00012567211775
                   +1 :              -0.00003345846977
                3p
                   -1 :              -0.00022615598703
                   +0 :              -0.00012584529457
                   +1 :               0.00002563488045
                3d
                   -2 :              -0.00000904402808
                   -1 :              -0.00001775063097
                   +0 :              -0.00000598842117
                   +1 :               0.00000052922382
                   +2 :               0.00001463755885
             29 vec=   -14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :              -0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :              -0.00001648288250
                3p
                   -1 :               0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :               0.00004918361333
                3d
                   -2 :               0.00001103815690
                   -1 :               0.00000649296603
                   +0 :              -0.00000617644173
                   +1 :               0.00000641816834
                   +2 :              -0.00000316351701
             30 vec=   -14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :               0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :              -0.00001648288250
                3p
                   -1 :              -0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :               0.00004918361333
                3d
                   -2 :              -0.00001103815690
                   -1 :              -0.00000649296603
                   +0 :              -0.00000617644173
                   +1 :               0.00000641816834
                   +2 :              -0.00000316351701
             31 vec=    14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :              -0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :               0.00001648288250
                3p
                   -1 :               0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :              -0.00004918361333
                3d
                   -2 :              -0.00001103815690
                   -1 :               0.00000649296603
                   +0 :              -0.00000617644173
                   +1 :              -0.00000641816834
                   +2 :              -0.00000316351701
             32 vec=    14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001641997996
                2s
                   +0 :               0.00007288434667
                3s
                   +0 :              -0.00006134090681
                2p
                   -1 :               0.00004058422996
                   +0 :              -0.00001637031198
                   +1 :               0.00001648288250
                3p
                   -1 :              -0.00000371426896
                   +0 :              -0.00001278846168
                   +1 :              -0.00004918361333
                3d
                   -2 :               0.00001103815690
                   -1 :              -0.00000649296603
                   +0 :              -0.00000617644173
                   +1 :              -0.00000641816834
                   +2 :              -0.00000316351701
             33 vec=     0.000000     -3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002266536441
                2s
                   +0 :              -0.00026315556974
                3s
                   +0 :               0.00009827865367
                2p
                   -1 :               0.00120224607526
                   +0 :               0.00007730724733
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00037816134824
                   +0 :               0.00005102619846
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00003477213274
                   +0 :               0.00002860585973
                   +1 :              -0.00000000000000
                   +2 :               0.00002148028220
             34 vec=     0.000000      3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002266536441
                2s
                   +0 :              -0.00026315556974
                3s
                   +0 :               0.00009827865367
                2p
                   -1 :              -0.00120224607526
                   +0 :               0.00007730724733
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00037816134824
                   +0 :               0.00005102619846
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00003477213274
                   +0 :               0.00002860585973
                   +1 :              -0.00000000000000
                   +2 :               0.00002148028220
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site O (  6)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00038103921221
                2s
                   +0 :              -0.00376002706607
                3s
                   +0 :               0.00220525384353
                2p
                   -1 :               0.00047256946445
                   +0 :               0.01689099604771
                   +1 :               0.00047256946445
                3p
                   -1 :               0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :               0.00060071122534
                3d
                   -2 :              -0.00000467455624
                   -1 :              -0.00069478252226
                   +0 :               0.00043766005505
                   +1 :              -0.00069478252226
                   +2 :               0.00000000000000
              2 vec=    -3.573189      3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00038103921221
                2s
                   +0 :              -0.00376002706607
                3s
                   +0 :               0.00220525384353
                2p
                   -1 :              -0.00047256946445
                   +0 :               0.01689099604771
                   +1 :               0.00047256946445
                3p
                   -1 :              -0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :               0.00060071122534
                3d
                   -2 :               0.00000467455624
                   -1 :               0.00069478252226
                   +0 :               0.00043766005505
                   +1 :              -0.00069478252226
                   +2 :              -0.00000000000000
              3 vec=     3.573189     -3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00038103921221
                2s
                   +0 :              -0.00376002706607
                3s
                   +0 :               0.00220525384353
                2p
                   -1 :               0.00047256946445
                   +0 :               0.01689099604771
                   +1 :              -0.00047256946445
                3p
                   -1 :               0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :              -0.00060071122534
                3d
                   -2 :               0.00000467455624
                   -1 :              -0.00069478252226
                   +0 :               0.00043766005505
                   +1 :               0.00069478252226
                   +2 :              -0.00000000000000
              4 vec=     3.573189      3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00038103921221
                2s
                   +0 :              -0.00376002706607
                3s
                   +0 :               0.00220525384353
                2p
                   -1 :              -0.00047256946445
                   +0 :               0.01689099604771
                   +1 :              -0.00047256946445
                3p
                   -1 :              -0.00060071122534
                   +0 :              -0.00465652103240
                   +1 :              -0.00060071122534
                3d
                   -2 :              -0.00000467455624
                   -1 :               0.00069478252226
                   +0 :               0.00043766005505
                   +1 :               0.00069478252226
                   +2 :               0.00000000000000
              5 vec=     0.000000      0.000000      9.133284   |vec|=    9.133284
                1s
                   +0 :               0.00088026921240
                2s
                   +0 :              -0.01037319149169
                3s
                   +0 :               0.00077980670539
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00512365571621
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00163313158137
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00099453730952
                   +1 :              -0.00000000000000
                   +2 :              -0.00000000000000
              6 vec=    -7.146377      0.000000      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00027090103163
                2s
                   +0 :               0.00492412806634
                3s
                   +0 :              -0.00096531492358
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00509573366982
                   +1 :              -0.00314492926630
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00070595779378
                   +1 :               0.00061018767813
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00015544292694
                   +1 :              -0.00017132963566
                   +2 :               0.00009083393639
              7 vec=     0.000000     -7.146377      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00027090103163
                2s
                   +0 :               0.00492412806634
                3s
                   +0 :              -0.00096531492358
                2p
                   -1 :              -0.00314492926630
                   +0 :               0.00509573366982
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00061018767813
                   +0 :              -0.00070595779378
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00017132963566
                   +0 :               0.00015544292694
                   +1 :               0.00000000000000
                   +2 :              -0.00009083393639
              8 vec=     0.000000      7.146377      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00027090103163
                2s
                   +0 :               0.00492412806634
                3s
                   +0 :              -0.00096531492358
                2p
                   -1 :               0.00314492926630
                   +0 :               0.00509573366982
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00061018767813
                   +0 :              -0.00070595779378
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00017132963566
                   +0 :               0.00015544292694
                   +1 :              -0.00000000000000
                   +2 :              -0.00009083393639
              9 vec=     7.146377      0.000000      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00027090103163
                2s
                   +0 :               0.00492412806634
                3s
                   +0 :              -0.00096531492358
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00509573366982
                   +1 :               0.00314492926630
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00070595779378
                   +1 :              -0.00061018767813
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00015544292694
                   +1 :               0.00017132963566
                   +2 :               0.00009083393639
             10 vec=   -10.719566     -3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :              -0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :              -0.00039658132540
                3p
                   -1 :               0.00007376338189
                   +0 :               0.00006050602805
                   +1 :               0.00016632852407
                3d
                   -2 :              -0.00002297922812
                   -1 :              -0.00001544467383
                   +0 :              -0.00000477539228
                   +1 :              -0.00004052314170
                   +2 :              -0.00000925774128
             11 vec=   -10.719566      3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :               0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :              -0.00039658132540
                3p
                   -1 :              -0.00007376338189
                   +0 :               0.00006050602805
                   +1 :               0.00016632852407
                3d
                   -2 :               0.00002297922812
                   -1 :               0.00001544467383
                   +0 :              -0.00000477539228
                   +1 :              -0.00004052314170
                   +2 :              -0.00000925774128
             12 vec=    -3.573189    -10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :              -0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :              -0.00000373712463
                3p
                   -1 :               0.00016632852407
                   +0 :               0.00006050602805
                   +1 :               0.00007376338189
                3d
                   -2 :              -0.00002297922812
                   -1 :              -0.00004052314170
                   +0 :              -0.00000477539228
                   +1 :              -0.00001544467383
                   +2 :               0.00000925774128
             13 vec=    -3.573189     10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :               0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :              -0.00000373712463
                3p
                   -1 :              -0.00016632852407
                   +0 :               0.00006050602805
                   +1 :               0.00007376338189
                3d
                   -2 :               0.00002297922812
                   -1 :               0.00004052314170
                   +0 :              -0.00000477539228
                   +1 :              -0.00001544467383
                   +2 :               0.00000925774128
             14 vec=     3.573189    -10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :              -0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :               0.00000373712463
                3p
                   -1 :               0.00016632852407
                   +0 :               0.00006050602805
                   +1 :              -0.00007376338189
                3d
                   -2 :               0.00002297922812
                   -1 :              -0.00004052314170
                   +0 :              -0.00000477539228
                   +1 :               0.00001544467383
                   +2 :               0.00000925774128
             15 vec=     3.573189     10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :               0.00039658132540
                   +0 :              -0.00007781252508
                   +1 :               0.00000373712463
                3p
                   -1 :              -0.00016632852407
                   +0 :               0.00006050602805
                   +1 :              -0.00007376338189
                3d
                   -2 :              -0.00002297922812
                   -1 :               0.00004052314170
                   +0 :              -0.00000477539228
                   +1 :               0.00001544467383
                   +2 :               0.00000925774128
             16 vec=    10.719566     -3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :              -0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :               0.00039658132540
                3p
                   -1 :               0.00007376338189
                   +0 :               0.00006050602805
                   +1 :              -0.00016632852407
                3d
                   -2 :               0.00002297922812
                   -1 :              -0.00001544467383
                   +0 :              -0.00000477539228
                   +1 :               0.00004052314170
                   +2 :              -0.00000925774128
             17 vec=    10.719566      3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001443252874
                2s
                   +0 :               0.00023824733508
                3s
                   +0 :              -0.00018362101426
                2p
                   -1 :               0.00000373712463
                   +0 :              -0.00007781252508
                   +1 :               0.00039658132540
                3p
                   -1 :              -0.00007376338189
                   +0 :               0.00006050602805
                   +1 :              -0.00016632852407
                3d
                   -2 :              -0.00002297922812
                   -1 :               0.00001544467383
                   +0 :              -0.00000477539228
                   +1 :               0.00004052314170
                   +2 :              -0.00000925774128
             18 vec=    -7.146377     -7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002394755314
                2s
                   +0 :               0.00002270686481
                3s
                   +0 :              -0.00004503378281
                2p
                   -1 :               0.00020922694754
                   +0 :               0.00009177353109
                   +1 :               0.00020922694754
                3p
                   -1 :              -0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :              -0.00018790954573
                3d
                   -2 :               0.00002590811612
                   -1 :               0.00000159865903
                   +0 :              -0.00003472276080
                   +1 :               0.00000159865903
                   +2 :              -0.00000000000000
             19 vec=    -7.146377      7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002394755314
                2s
                   +0 :               0.00002270686481
                3s
                   +0 :              -0.00004503378281
                2p
                   -1 :              -0.00020922694754
                   +0 :               0.00009177353109
                   +1 :               0.00020922694754
                3p
                   -1 :               0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :              -0.00018790954573
                3d
                   -2 :              -0.00002590811612
                   -1 :              -0.00000159865903
                   +0 :              -0.00003472276080
                   +1 :               0.00000159865903
                   +2 :               0.00000000000000
             20 vec=     7.146377     -7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002394755314
                2s
                   +0 :               0.00002270686481
                3s
                   +0 :              -0.00004503378281
                2p
                   -1 :               0.00020922694754
                   +0 :               0.00009177353109
                   +1 :              -0.00020922694754
                3p
                   -1 :              -0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :               0.00018790954573
                3d
                   -2 :              -0.00002590811612
                   -1 :               0.00000159865903
                   +0 :              -0.00003472276080
                   +1 :              -0.00000159865903
                   +2 :               0.00000000000000
             21 vec=     7.146377      7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002394755314
                2s
                   +0 :               0.00002270686481
                3s
                   +0 :              -0.00004503378281
                2p
                   -1 :              -0.00020922694754
                   +0 :               0.00009177353109
                   +1 :              -0.00020922694754
                3p
                   -1 :               0.00018790954573
                   +0 :              -0.00025380821164
                   +1 :               0.00018790954573
                3d
                   -2 :               0.00002590811612
                   -1 :              -0.00000159865903
                   +0 :              -0.00003472276080
                   +1 :              -0.00000159865903
                   +2 :              -0.00000000000000
             22 vec=   -10.719566    -10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00002495894010
                2s
                   +0 :              -0.00028935612956
                3s
                   +0 :               0.00025923297405
                2p
                   -1 :               0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :               0.00000091875973
                3p
                   -1 :              -0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :              -0.00030201917992
                3d
                   -2 :               0.00007322977323
                   -1 :               0.00000628057166
                   +0 :              -0.00005001445485
                   +1 :               0.00000628057166
                   +2 :              -0.00000000000000
             23 vec=   -10.719566     10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00002495894010
                2s
                   +0 :              -0.00028935612956
                3s
                   +0 :               0.00025923297405
                2p
                   -1 :              -0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :               0.00000091875973
                3p
                   -1 :               0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :              -0.00030201917992
                3d
                   -2 :              -0.00007322977323
                   -1 :              -0.00000628057166
                   +0 :              -0.00005001445485
                   +1 :               0.00000628057166
                   +2 :               0.00000000000000
             24 vec=    10.719566    -10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00002495894010
                2s
                   +0 :              -0.00028935612956
                3s
                   +0 :               0.00025923297405
                2p
                   -1 :               0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :              -0.00000091875973
                3p
                   -1 :              -0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :               0.00030201917992
                3d
                   -2 :              -0.00007322977323
                   -1 :               0.00000628057166
                   +0 :              -0.00005001445485
                   +1 :              -0.00000628057166
                   +2 :               0.00000000000000
             25 vec=    10.719566     10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00002495894010
                2s
                   +0 :              -0.00028935612956
                3s
                   +0 :               0.00025923297405
                2p
                   -1 :              -0.00000091875973
                   +0 :              -0.00020415112336
                   +1 :              -0.00000091875973
                3p
                   -1 :               0.00030201917992
                   +0 :              -0.00000321624224
                   +1 :               0.00030201917992
                3d
                   -2 :               0.00007322977323
                   -1 :              -0.00000628057166
                   +0 :              -0.00005001445485
                   +1 :              -0.00000628057166
                   +2 :              -0.00000000000000
             26 vec=     0.000000      0.000000    -15.903130   |vec|=   15.903130
                1s
                   +0 :               0.00033823454521
                2s
                   +0 :              -0.00423440134546
                3s
                   +0 :               0.00191909377981
                2p
                   +0 :               0.00537301732195
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00375305066812
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00030225167966
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
             27 vec=   -14.292755      0.000000      9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00000106328199
                2s
                   +0 :               0.00005285749047
                3s
                   +0 :              -0.00009944371540
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00037039541541
                   +1 :              -0.00016014662892
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00016020432433
                   +1 :               0.00007133909873
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000374443002
                   +1 :               0.00001155589619
                   +2 :               0.00001692271402
             28 vec=     0.000000    -14.292755      9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00000106328199
                2s
                   +0 :               0.00005285749047
                3s
                   +0 :              -0.00009944371540
                2p
                   -1 :              -0.00016014662892
                   +0 :              -0.00037039541541
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00007133909873
                   +0 :               0.00016020432433
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001155589619
                   +0 :              -0.00000374443002
                   +1 :               0.00000000000000
                   +2 :              -0.00001692271402
             29 vec=     0.000000     14.292755      9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00000106328199
                2s
                   +0 :               0.00005285749047
                3s
                   +0 :              -0.00009944371540
                2p
                   -1 :               0.00016014662892
                   +0 :              -0.00037039541541
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00007133909873
                   +0 :               0.00016020432433
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001155589619
                   +0 :              -0.00000374443002
                   +2 :              -0.00001692271402
             30 vec=    14.292755      0.000000      9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00000106328199
                2s
                   +0 :               0.00005285749047
                3s
                   +0 :              -0.00009944371540
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00037039541541
                   +1 :               0.00016014662892
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00016020432433
                   +1 :              -0.00007133909873
                3d
                   -1 :              -0.00000000000000
                   +0 :              -0.00000374443002
                   +1 :              -0.00001155589619
                   +2 :               0.00001692271402
             31 vec=    -7.146377      0.000000    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00008598080429
                2s
                   +0 :              -0.00081323609735
                3s
                   +0 :               0.00029193885752
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00138067693831
                   +1 :              -0.00081789595163
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00059187923164
                   +1 :               0.00022791356542
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002013531424
                   +1 :               0.00001749668723
                   +2 :              -0.00000199982048
             32 vec=     0.000000     -7.146377    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00008598080429
                2s
                   +0 :              -0.00081323609735
                3s
                   +0 :               0.00029193885752
                2p
                   -1 :              -0.00081789595163
                   +0 :               0.00138067693831
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00022791356542
                   +0 :              -0.00059187923164
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00001749668723
                   +0 :               0.00002013531424
                   +1 :              -0.00000000000000
                   +2 :               0.00000199982048
             33 vec=     0.000000      7.146377    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00008598080429
                2s
                   +0 :              -0.00081323609735
                3s
                   +0 :               0.00029193885752
                2p
                   -1 :               0.00081789595163
                   +0 :               0.00138067693831
                   +1 :               0.00000000000000
                3p
                   -1 :              -0.00022791356542
                   +0 :              -0.00059187923164
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00001749668723
                   +0 :               0.00002013531424
                   +2 :               0.00000199982048
             34 vec=     7.146377      0.000000    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00008598080429
                2s
                   +0 :              -0.00081323609735
                3s
                   +0 :               0.00029193885752
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00138067693831
                   +1 :               0.00081789595163
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00059187923164
                   +1 :              -0.00022791356542
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002013531424
                   +1 :              -0.00001749668723
                   +2 :              -0.00000199982048
WF             site_B          number of pairs
WF( 16)=[O 2p0]  to site O (  7)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00057640838657
                2s
                   +0 :              -0.00125030712857
                3s
                   +0 :              -0.00142426948193
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.90298362394025
                   +1 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.06611554790225
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00539529715023
                   +1 :              -0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00020074159166
                2s
                   +0 :              -0.00366402058379
                3s
                   +0 :               0.00099338871255
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00179928672670
                   +1 :               0.00380168600295
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00089134116895
                   +1 :              -0.00033716566217
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005758864796
                   +1 :              -0.00000256882319
                   +2 :              -0.00032301609703
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00020074159166
                2s
                   +0 :              -0.00366402058379
                3s
                   +0 :               0.00099338871255
                2p
                   -1 :               0.00380168600295
                   +0 :              -0.00179928672670
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00033716566217
                   +0 :               0.00089134116895
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000256882319
                   +0 :               0.00005758864796
                   +1 :               0.00000000000000
                   +2 :               0.00032301609703
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00020074159166
                2s
                   +0 :              -0.00366402058379
                3s
                   +0 :               0.00099338871255
                2p
                   -1 :              -0.00380168600295
                   +0 :              -0.00179928672670
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00033716566217
                   +0 :               0.00089134116895
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000256882319
                   +0 :               0.00005758864796
                   +1 :               0.00000000000000
                   +2 :               0.00032301609703
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00020074159166
                2s
                   +0 :              -0.00366402058379
                3s
                   +0 :               0.00099338871255
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00179928672670
                   +1 :              -0.00380168600295
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00089134116895
                   +1 :               0.00033716566217
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005758864796
                   +1 :               0.00000256882319
                   +2 :              -0.00032301609703
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032307187512
                2s
                   +0 :               0.00923391029654
                3s
                   +0 :              -0.00182616630543
                2p
                   -1 :              -0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :              -0.00686426742935
                3p
                   -1 :               0.00226618173295
                   +0 :               0.00035429220491
                   +1 :               0.00226618173295
                3d
                   -2 :              -0.00012224979636
                   -1 :              -0.00003361590914
                   +0 :               0.00000626361888
                   +1 :              -0.00003361590914
                   +2 :               0.00000000000000
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032307187512
                2s
                   +0 :               0.00923391029654
                3s
                   +0 :              -0.00182616630543
                2p
                   -1 :               0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :              -0.00686426742935
                3p
                   -1 :              -0.00226618173295
                   +0 :               0.00035429220491
                   +1 :               0.00226618173295
                3d
                   -2 :               0.00012224979636
                   -1 :               0.00003361590914
                   +0 :               0.00000626361888
                   +1 :              -0.00003361590914
                   +2 :              -0.00000000000000
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032307187512
                2s
                   +0 :               0.00923391029654
                3s
                   +0 :              -0.00182616630543
                2p
                   -1 :              -0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :               0.00686426742935
                3p
                   -1 :               0.00226618173295
                   +0 :               0.00035429220491
                   +1 :              -0.00226618173295
                3d
                   -2 :               0.00012224979636
                   -1 :              -0.00003361590914
                   +0 :               0.00000626361888
                   +1 :               0.00003361590914
                   +2 :              -0.00000000000000
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032307187512
                2s
                   +0 :               0.00923391029654
                3s
                   +0 :              -0.00182616630543
                2p
                   -1 :               0.00686426742935
                   +0 :              -0.00132394632126
                   +1 :               0.00686426742935
                3p
                   -1 :              -0.00226618173295
                   +0 :               0.00035429220491
                   +1 :              -0.00226618173295
                3d
                   -2 :              -0.00012224979636
                   -1 :               0.00003361590914
                   +0 :               0.00000626361888
                   +1 :               0.00003361590914
                   +2 :               0.00000000000000
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004871714650
                2s
                   +0 :               0.00092972098877
                3s
                   +0 :              -0.00030302788912
                2p
                   -1 :              -0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :              -0.00032798193466
                3p
                   -1 :               0.00027329003298
                   +0 :               0.00025852977685
                   +1 :               0.00027329003298
                3d
                   -2 :              -0.00008570814416
                   -1 :              -0.00004739041647
                   +0 :               0.00000964435105
                   +1 :              -0.00004739041647
                   +2 :               0.00000000000000
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00002823133634
                2s
                   +0 :              -0.00067450543683
                3s
                   +0 :               0.00013713262273
                2p
                   -1 :              -0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :              -0.00006621991307
                3p
                   -1 :               0.00007309352541
                   +0 :               0.00007058708920
                   +1 :               0.00007309352541
                3d
                   -2 :               0.00000922226643
                   -1 :               0.00004471953729
                   +0 :               0.00000139664333
                   +1 :               0.00004471953729
                   +2 :              -0.00000000000000
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004871714650
                2s
                   +0 :               0.00092972098877
                3s
                   +0 :              -0.00030302788912
                2p
                   -1 :               0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :              -0.00032798193466
                3p
                   -1 :              -0.00027329003298
                   +0 :               0.00025852977685
                   +1 :               0.00027329003298
                3d
                   -2 :               0.00008570814416
                   -1 :               0.00004739041647
                   +0 :               0.00000964435105
                   +1 :              -0.00004739041647
                   +2 :              -0.00000000000000
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00002823133634
                2s
                   +0 :              -0.00067450543683
                3s
                   +0 :               0.00013713262273
                2p
                   -1 :               0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :              -0.00006621991307
                3p
                   -1 :              -0.00007309352541
                   +0 :               0.00007058708920
                   +1 :               0.00007309352541
                3d
                   -2 :              -0.00000922226643
                   -1 :              -0.00004471953729
                   +0 :               0.00000139664333
                   +1 :               0.00004471953729
                   +2 :              -0.00000000000000
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004871714650
                2s
                   +0 :               0.00092972098877
                3s
                   +0 :              -0.00030302788912
                2p
                   -1 :              -0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :               0.00032798193466
                3p
                   -1 :               0.00027329003298
                   +0 :               0.00025852977685
                   +1 :              -0.00027329003298
                3d
                   -2 :               0.00008570814416
                   -1 :              -0.00004739041647
                   +0 :               0.00000964435105
                   +1 :               0.00004739041647
                   +2 :              -0.00000000000000
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00002823133634
                2s
                   +0 :              -0.00067450543683
                3s
                   +0 :               0.00013713262273
                2p
                   -1 :              -0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :               0.00006621991307
                3p
                   -1 :               0.00007309352541
                   +0 :               0.00007058708920
                   +1 :              -0.00007309352541
                3d
                   -2 :              -0.00000922226643
                   -1 :               0.00004471953729
                   +0 :               0.00000139664333
                   +1 :              -0.00004471953729
                   +2 :               0.00000000000000
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00004871714650
                2s
                   +0 :               0.00092972098877
                3s
                   +0 :              -0.00030302788912
                2p
                   -1 :               0.00032798193466
                   +0 :              -0.00038269931501
                   +1 :               0.00032798193466
                3p
                   -1 :              -0.00027329003298
                   +0 :               0.00025852977685
                   +1 :              -0.00027329003298
                3d
                   -2 :              -0.00008570814416
                   -1 :               0.00004739041647
                   +0 :               0.00000964435105
                   +1 :               0.00004739041647
                   +2 :               0.00000000000000
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00002823133634
                2s
                   +0 :              -0.00067450543683
                3s
                   +0 :               0.00013713262273
                2p
                   -1 :               0.00006621991307
                   +0 :              -0.00060594223470
                   +1 :               0.00006621991307
                3p
                   -1 :              -0.00007309352541
                   +0 :               0.00007058708920
                   +1 :              -0.00007309352541
                3d
                   -2 :               0.00000922226643
                   -1 :              -0.00004471953729
                   +0 :               0.00000139664333
                   +1 :              -0.00004471953729
                   +2 :              -0.00000000000000
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00000564674538
                2s
                   +0 :               0.00022455404493
                3s
                   +0 :              -0.00004205125034
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00030720153024
                   +1 :              -0.00026582520278
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008592553651
                   +1 :               0.00003622082046
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00001104298000
                   +1 :              -0.00000684722194
                   +2 :               0.00001573767916
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00000564674538
                2s
                   +0 :               0.00022455404493
                3s
                   +0 :              -0.00004205125034
                2p
                   -1 :              -0.00026582520278
                   +0 :              -0.00030720153024
                   +1 :               0.00000000000000
                3p
                   -1 :               0.00003622082046
                   +0 :               0.00008592553651
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000684722194
                   +0 :               0.00001104298000
                   +1 :              -0.00000000000000
                   +2 :              -0.00001573767916
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00000564674538
                2s
                   +0 :               0.00022455404493
                3s
                   +0 :              -0.00004205125034
                2p
                   -1 :               0.00026582520278
                   +0 :              -0.00030720153024
                   +1 :              -0.00000000000000
                3p
                   -1 :              -0.00003622082046
                   +0 :               0.00008592553651
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000684722194
                   +0 :               0.00001104298000
                   +1 :              -0.00000000000000
                   +2 :              -0.00001573767916
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00000564674538
                2s
                   +0 :               0.00022455404493
                3s
                   +0 :              -0.00004205125034
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00030720153024
                   +1 :               0.00026582520278
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00008592553651
                   +1 :              -0.00003622082046
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001104298000
                   +1 :               0.00000684722194
                   +2 :               0.00001573767916
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :               0.00017143365979
                   +0 :               0.00010551161817
                   +1 :               0.00008045917997
                3p
                   -1 :              -0.00014842892650
                   +0 :               0.00000142575617
                   +1 :              -0.00017196545619
                3d
                   -2 :               0.00002646282027
                   -1 :               0.00000430271309
                   +0 :              -0.00001419842618
                   +1 :               0.00000159491770
                   +2 :               0.00002534981260
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :              -0.00017143365979
                   +0 :               0.00010551161817
                   +1 :               0.00008045917997
                3p
                   -1 :               0.00014842892650
                   +0 :               0.00000142575617
                   +1 :              -0.00017196545619
                3d
                   -2 :              -0.00002646282027
                   -1 :              -0.00000430271309
                   +0 :              -0.00001419842618
                   +1 :               0.00000159491770
                   +2 :               0.00002534981260
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :               0.00008045917997
                   +0 :               0.00010551161817
                   +1 :               0.00017143365979
                3p
                   -1 :              -0.00017196545619
                   +0 :               0.00000142575617
                   +1 :              -0.00014842892650
                3d
                   -2 :               0.00002646282027
                   -1 :               0.00000159491770
                   +0 :              -0.00001419842618
                   +1 :               0.00000430271309
                   +2 :              -0.00002534981260
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :              -0.00008045917997
                   +0 :               0.00010551161817
                   +1 :               0.00017143365979
                3p
                   -1 :               0.00017196545619
                   +0 :               0.00000142575617
                   +1 :              -0.00014842892650
                3d
                   -2 :              -0.00002646282027
                   -1 :              -0.00000159491770
                   +0 :              -0.00001419842618
                   +1 :               0.00000430271309
                   +2 :              -0.00002534981260
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :               0.00008045917997
                   +0 :               0.00010551161817
                   +1 :              -0.00017143365979
                3p
                   -1 :              -0.00017196545619
                   +0 :               0.00000142575617
                   +1 :               0.00014842892650
                3d
                   -2 :              -0.00002646282027
                   -1 :               0.00000159491770
                   +0 :              -0.00001419842618
                   +1 :              -0.00000430271309
                   +2 :              -0.00002534981260
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :              -0.00008045917997
                   +0 :               0.00010551161817
                   +1 :              -0.00017143365979
                3p
                   -1 :               0.00017196545619
                   +0 :               0.00000142575617
                   +1 :               0.00014842892650
                3d
                   -2 :               0.00002646282027
                   -1 :              -0.00000159491770
                   +0 :              -0.00001419842618
                   +1 :              -0.00000430271309
                   +2 :              -0.00002534981260
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :               0.00017143365979
                   +0 :               0.00010551161817
                   +1 :              -0.00008045917997
                3p
                   -1 :              -0.00014842892650
                   +0 :               0.00000142575617
                   +1 :               0.00017196545619
                3d
                   -2 :              -0.00002646282027
                   -1 :               0.00000430271309
                   +0 :              -0.00001419842618
                   +1 :              -0.00000159491770
                   +2 :               0.00002534981260
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000677294588
                2s
                   +0 :              -0.00007107608473
                3s
                   +0 :               0.00009682085612
                2p
                   -1 :              -0.00017143365979
                   +0 :               0.00010551161817
                   +1 :              -0.00008045917997
                3p
                   -1 :               0.00014842892650
                   +0 :               0.00000142575617
                   +1 :               0.00017196545619
                3d
                   -2 :               0.00002646282027
                   -1 :              -0.00000430271309
                   +0 :              -0.00001419842618
                   +1 :              -0.00000159491770
                   +2 :               0.00002534981260
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :               0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :               0.00027834479721
                3p
                   -1 :              -0.00012463825787
                   +0 :               0.00013019031993
                   +1 :              -0.00012913498744
                3d
                   -2 :               0.00000813986582
                   -1 :               0.00000540462429
                   +0 :              -0.00000194190432
                   +1 :               0.00000770227784
                   +2 :               0.00002213005622
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :              -0.00026731649652
                   +0 :               0.00042817215594
                   +1 :              -0.00000666747767
                3p
                   -1 :               0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :              -0.00012428907581
                3d
                   -2 :               0.00000195625017
                   -1 :              -0.00001582689179
                   +0 :              -0.00003573422918
                   +1 :              -0.00003148403684
                   +2 :              -0.00000349924394
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :              -0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :               0.00027834479721
                3p
                   -1 :               0.00012463825787
                   +0 :               0.00013019031993
                   +1 :              -0.00012913498744
                3d
                   -2 :              -0.00000813986582
                   -1 :              -0.00000540462429
                   +0 :              -0.00000194190432
                   +1 :               0.00000770227784
                   +2 :               0.00002213005622
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :               0.00026731649652
                   +0 :               0.00042817215594
                   +1 :              -0.00000666747767
                3p
                   -1 :              -0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :              -0.00012428907581
                3d
                   -2 :              -0.00000195625017
                   -1 :               0.00001582689179
                   +0 :              -0.00003573422918
                   +1 :              -0.00003148403684
                   +2 :              -0.00000349924394
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :               0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :               0.00055445750594
                3p
                   -1 :              -0.00012913498744
                   +0 :               0.00013019031993
                   +1 :              -0.00012463825787
                3d
                   -2 :               0.00000813986582
                   -1 :               0.00000770227784
                   +0 :              -0.00000194190432
                   +1 :               0.00000540462429
                   +2 :              -0.00002213005622
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :              -0.00000666747767
                   +0 :               0.00042817215594
                   +1 :              -0.00026731649652
                3p
                   -1 :              -0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :               0.00001832185012
                3d
                   -2 :               0.00000195625017
                   -1 :              -0.00003148403684
                   +0 :              -0.00003573422918
                   +1 :              -0.00001582689179
                   +2 :               0.00000349924394
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :              -0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :               0.00055445750594
                3p
                   -1 :               0.00012913498744
                   +0 :               0.00013019031993
                   +1 :              -0.00012463825787
                3d
                   -2 :              -0.00000813986582
                   -1 :              -0.00000770227784
                   +0 :              -0.00000194190432
                   +1 :               0.00000540462429
                   +2 :              -0.00002213005622
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :               0.00000666747767
                   +0 :               0.00042817215594
                   +1 :              -0.00026731649652
                3p
                   -1 :               0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :               0.00001832185012
                3d
                   -2 :              -0.00000195625017
                   -1 :               0.00003148403684
                   +0 :              -0.00003573422918
                   +1 :              -0.00001582689179
                   +2 :               0.00000349924394
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :               0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :              -0.00055445750594
                3p
                   -1 :              -0.00012913498744
                   +0 :               0.00013019031993
                   +1 :               0.00012463825787
                3d
                   -2 :              -0.00000813986582
                   -1 :               0.00000770227784
                   +0 :              -0.00000194190432
                   +1 :              -0.00000540462429
                   +2 :              -0.00002213005622
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :              -0.00000666747767
                   +0 :               0.00042817215594
                   +1 :               0.00026731649652
                3p
                   -1 :              -0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :              -0.00001832185012
                3d
                   -2 :              -0.00000195625017
                   -1 :              -0.00003148403684
                   +0 :              -0.00003573422918
                   +1 :               0.00001582689179
                   +2 :               0.00000349924394
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :              -0.00027834479721
                   +0 :              -0.00011347217758
                   +1 :              -0.00055445750594
                3p
                   -1 :               0.00012913498744
                   +0 :               0.00013019031993
                   +1 :               0.00012463825787
                3d
                   -2 :               0.00000813986582
                   -1 :              -0.00000770227784
                   +0 :              -0.00000194190432
                   +1 :              -0.00000540462429
                   +2 :              -0.00002213005622
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :               0.00000666747767
                   +0 :               0.00042817215594
                   +1 :               0.00026731649652
                3p
                   -1 :               0.00012428907581
                   +0 :              -0.00029499655850
                   +1 :              -0.00001832185012
                3d
                   -2 :               0.00000195625017
                   -1 :               0.00003148403684
                   +0 :              -0.00003573422918
                   +1 :               0.00001582689179
                   +2 :               0.00000349924394
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :               0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :              -0.00027834479721
                3p
                   -1 :              -0.00012463825787
                   +0 :               0.00013019031993
                   +1 :               0.00012913498744
                3d
                   -2 :              -0.00000813986582
                   -1 :               0.00000540462429
                   +0 :              -0.00000194190432
                   +1 :              -0.00000770227784
                   +2 :               0.00002213005622
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :              -0.00026731649652
                   +0 :               0.00042817215594
                   +1 :               0.00000666747767
                3p
                   -1 :               0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :               0.00012428907581
                3d
                   -2 :              -0.00000195625017
                   -1 :              -0.00001582689179
                   +0 :              -0.00003573422918
                   +1 :               0.00003148403684
                   +2 :              -0.00000349924394
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00002877335402
                2s
                   +0 :              -0.00053456741541
                3s
                   +0 :               0.00010937995624
                2p
                   -1 :              -0.00055445750594
                   +0 :              -0.00011347217758
                   +1 :              -0.00027834479721
                3p
                   -1 :               0.00012463825787
                   +0 :               0.00013019031993
                   +1 :               0.00012913498744
                3d
                   -2 :               0.00000813986582
                   -1 :              -0.00000540462429
                   +0 :              -0.00000194190432
                   +1 :              -0.00000770227784
                   +2 :               0.00002213005622
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003476863336
                2s
                   +0 :               0.00038724296076
                3s
                   +0 :              -0.00018343011392
                2p
                   -1 :               0.00026731649652
                   +0 :               0.00042817215594
                   +1 :               0.00000666747767
                3p
                   -1 :              -0.00001832185012
                   +0 :              -0.00029499655850
                   +1 :               0.00012428907581
                3d
                   -2 :               0.00000195625017
                   -1 :               0.00001582689179
                   +0 :              -0.00003573422918
                   +1 :               0.00003148403684
                   +2 :              -0.00000349924394
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site La(  1)  npairs=  34
              1 vec=    -3.573189     -3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :              -0.08227888251598
                   +0 :               0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :               0.03326120532581
                   +0 :               0.03208793471326
                   +1 :               0.01683261061960
                   +2 :               0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :              -0.00298719194765
                   +0 :               0.00192560839971
                   +1 :               0.00129911910529
                   +2 :              -0.00404106230453
                6p
                   -1 :              -0.00800772146902
                   +0 :               0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :              -0.00541074852406
                   -2 :               0.01549615231281
                   -1 :               0.01364884628505
                   +0 :              -0.01250709297084
                   +1 :               0.00712582338198
                   +2 :              -0.00753488302829
                   +3 :               0.02858680960397
              2 vec=    -3.573189      3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :               0.03555576838591
                5p
                   -1 :               0.08227888251598
                   +0 :               0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :               0.02971263197102
                7s
                   +0 :               0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :              -0.03326120532581
                   +0 :               0.03208793471326
                   +1 :               0.01683261061960
                   +2 :               0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :               0.00298719194765
                   +0 :               0.00192560839971
                   +1 :               0.00129911910529
                   +2 :              -0.00404106230453
                6p
                   -1 :               0.00800772146902
                   +0 :               0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :               0.00541074852406
                   -2 :              -0.01549615231281
                   -1 :              -0.01364884628505
                   +0 :              -0.01250709297084
                   +1 :               0.00712582338198
                   +2 :              -0.00753488302829
                   +3 :               0.02858680960397
              3 vec=     3.573189     -3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :               0.08227888251598
                   +0 :              -0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :              -0.05859164853810
                   -1 :              -0.03326120532581
                   +0 :              -0.03208793471326
                   +1 :               0.01683261061960
                   +2 :              -0.03581040889761
                6d
                   -2 :              -0.00305881728886
                   -1 :               0.00298719194765
                   +0 :              -0.00192560839971
                   +1 :               0.00129911910529
                   +2 :               0.00404106230453
                6p
                   -1 :               0.00800772146902
                   +0 :              -0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :               0.00541074852406
                   -2 :               0.01549615231281
                   -1 :              -0.01364884628505
                   +0 :               0.01250709297084
                   +1 :               0.00712582338198
                   +2 :               0.00753488302829
                   +3 :               0.02858680960397
              4 vec=     3.573189      3.573189      1.061544   |vec|=    5.163548
                5s
                   +0 :              -0.03555576838591
                5p
                   -1 :              -0.08227888251598
                   +0 :              -0.02614641501221
                   +1 :              -0.05449597789915
                6s
                   +0 :              -0.02971263197102
                7s
                   +0 :              -0.00022257404762
                5d
                   -2 :               0.05859164853810
                   -1 :               0.03326120532581
                   +0 :              -0.03208793471326
                   +1 :               0.01683261061960
                   +2 :              -0.03581040889761
                6d
                   -2 :               0.00305881728886
                   -1 :              -0.00298719194765
                   +0 :              -0.00192560839971
                   +1 :               0.00129911910529
                   +2 :               0.00404106230453
                6p
                   -1 :              -0.00800772146902
                   +0 :              -0.00331069113577
                   +1 :              -0.00222949376557
                4f
                   -3 :              -0.00541074852406
                   -2 :              -0.01549615231281
                   -1 :               0.01364884628505
                   +0 :               0.01250709297084
                   +1 :               0.00712582338198
                   +2 :               0.00753488302829
                   +3 :               0.02858680960397
              5 vec=   -10.719566     -3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :              -0.00054362310281
                   +0 :               0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :              -0.00004783419230
                   +0 :               0.00156424730693
                   +1 :               0.00096664435939
                   +2 :              -0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :              -0.00026638515465
                   +0 :              -0.00063951963368
                   +1 :              -0.00022106529893
                   +2 :               0.00071740938417
                6p
                   -1 :               0.00004895411188
                   +0 :              -0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :              -0.00078034915005
                   -2 :               0.00004856537930
                   -1 :              -0.00001755126458
                   +0 :              -0.00068937302327
                   +1 :               0.00045552011530
                   +2 :               0.00056192465122
                   +3 :              -0.00031626653516
              6 vec=   -10.719566      3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00026509936755
                5p
                   -1 :               0.00054362310281
                   +0 :               0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :               0.00182542585736
                7s
                   +0 :              -0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :               0.00004783419230
                   +0 :               0.00156424730693
                   +1 :               0.00096664435939
                   +2 :              -0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :               0.00026638515465
                   +0 :              -0.00063951963368
                   +1 :              -0.00022106529893
                   +2 :               0.00071740938417
                6p
                   -1 :              -0.00004895411188
                   +0 :              -0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :               0.00078034915005
                   -2 :              -0.00004856537930
                   -1 :               0.00001755126458
                   +0 :              -0.00068937302327
                   +1 :               0.00045552011530
                   +2 :               0.00056192465122
                   +3 :              -0.00031626653516
              7 vec=    -3.573189    -10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :              -0.00166863909623
                   +0 :               0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :               0.00045289607543
                   +0 :               0.00043839391877
                   +1 :              -0.00049394790317
                   +2 :               0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :               0.00027051749658
                   +0 :               0.00017854555947
                   +1 :               0.00011983136585
                   +2 :               0.00018705866771
                6p
                   -1 :              -0.00140665170866
                   +0 :               0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :              -0.00021612930547
                   -2 :              -0.00012936480411
                   -1 :              -0.00019669045640
                   +0 :              -0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :               0.00033681782588
                   +3 :               0.00112615195221
              8 vec=    -3.573189     10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00044888969718
                5p
                   -1 :               0.00166863909623
                   +0 :               0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :               0.00187715600647
                7s
                   +0 :               0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :              -0.00045289607543
                   +0 :               0.00043839391877
                   +1 :              -0.00049394790317
                   +2 :               0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :              -0.00027051749658
                   +0 :               0.00017854555947
                   +1 :               0.00011983136585
                   +2 :               0.00018705866771
                6p
                   -1 :               0.00140665170866
                   +0 :               0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :               0.00021612930547
                   -2 :               0.00012936480411
                   -1 :               0.00019669045640
                   +0 :              -0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :               0.00033681782588
                   +3 :               0.00112615195221
              9 vec=     3.573189    -10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :               0.00166863909623
                   +0 :              -0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :               0.00005257382352
                   -1 :              -0.00045289607543
                   +0 :              -0.00043839391877
                   +1 :              -0.00049394790317
                   +2 :              -0.00021932956137
                6d
                   -2 :              -0.00058839484596
                   -1 :              -0.00027051749658
                   +0 :              -0.00017854555947
                   +1 :               0.00011983136585
                   +2 :              -0.00018705866771
                6p
                   -1 :               0.00140665170866
                   +0 :              -0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :               0.00021612930547
                   -2 :              -0.00012936480411
                   -1 :               0.00019669045640
                   +0 :               0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :              -0.00033681782588
                   +3 :               0.00112615195221
             10 vec=     3.573189     10.719566      1.061544   |vec|=   11.349169
                5s
                   +0 :               0.00044888969718
                5p
                   -1 :              -0.00166863909623
                   +0 :              -0.00061339942960
                   +1 :              -0.00044329331915
                6s
                   +0 :              -0.00187715600647
                7s
                   +0 :              -0.00017114689494
                5d
                   -2 :              -0.00005257382352
                   -1 :               0.00045289607543
                   +0 :              -0.00043839391877
                   +1 :              -0.00049394790317
                   +2 :              -0.00021932956137
                6d
                   -2 :               0.00058839484596
                   -1 :               0.00027051749658
                   +0 :              -0.00017854555947
                   +1 :               0.00011983136585
                   +2 :              -0.00018705866771
                6p
                   -1 :              -0.00140665170866
                   +0 :              -0.00000774335808
                   +1 :               0.00033550808955
                4f
                   -3 :              -0.00021612930547
                   -2 :               0.00012936480411
                   -1 :              -0.00019669045640
                   +0 :               0.00079547376021
                   +1 :              -0.00013064647426
                   +2 :              -0.00033681782588
                   +3 :               0.00112615195221
             11 vec=    10.719566     -3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :               0.00054362310281
                   +0 :              -0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :              -0.00094580623478
                   -1 :               0.00004783419230
                   +0 :              -0.00156424730693
                   +1 :               0.00096664435939
                   +2 :               0.00133127647360
                6d
                   -2 :              -0.00001685855933
                   -1 :               0.00026638515465
                   +0 :               0.00063951963368
                   +1 :              -0.00022106529893
                   +2 :              -0.00071740938417
                6p
                   -1 :              -0.00004895411188
                   +0 :               0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :               0.00078034915005
                   -2 :               0.00004856537930
                   -1 :               0.00001755126458
                   +0 :               0.00068937302327
                   +1 :               0.00045552011530
                   +2 :              -0.00056192465122
                   +3 :              -0.00031626653516
             12 vec=    10.719566      3.573189      1.061544   |vec|=   11.349169
                5s
                   +0 :              -0.00026509936755
                5p
                   -1 :              -0.00054362310281
                   +0 :              -0.00057234510004
                   +1 :              -0.00078395259087
                6s
                   +0 :              -0.00182542585736
                7s
                   +0 :               0.00051257190625
                5d
                   -2 :               0.00094580623478
                   -1 :              -0.00004783419230
                   +0 :              -0.00156424730693
                   +1 :               0.00096664435939
                   +2 :               0.00133127647360
                6d
                   -2 :               0.00001685855933
                   -1 :              -0.00026638515465
                   +0 :               0.00063951963368
                   +1 :              -0.00022106529893
                   +2 :              -0.00071740938417
                6p
                   -1 :               0.00004895411188
                   +0 :               0.00010408422277
                   +1 :              -0.00031032769892
                4f
                   -3 :              -0.00078034915005
                   -2 :              -0.00004856537930
                   -1 :              -0.00001755126458
                   +0 :               0.00068937302327
                   +1 :               0.00045552011530
                   +2 :              -0.00056192465122
                   +3 :              -0.00031626653516
             13 vec=     0.000000      0.000000    -11.456663   |vec|=   11.456663
                5s
                   +0 :               0.00000000000000
                5p
                   +0 :               0.00000000000000
                   +1 :               0.00066224307083
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00303483150860
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00184200057634
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00095067387054
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00022837298084
                   +2 :              -0.00000000000000
                   +3 :              -0.00068557735169
             14 vec=    -7.146377      0.000000    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00142362402535
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00114283383424
                   +1 :               0.00122662648551
                6s
                   +0 :               0.00058782316591
                7s
                   +0 :              -0.00024059125392
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00006358943724
                   +1 :               0.00225180670006
                   +2 :               0.00193863526457
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00024378040302
                   +1 :               0.00036551319733
                   +2 :               0.00022597431413
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00021806853344
                   +1 :              -0.00007672645912
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002035339133
                   +1 :               0.00085782339167
                   +2 :               0.00131737275570
                   +3 :               0.00039214798733
             15 vec=     0.000000     -7.146377    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00039196865390
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00044919353632
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002544095189
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00033289612724
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00029478586322
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00012250660049
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00013269228931
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00004541385857
                   +2 :               0.00000000000000
                   +3 :               0.00014046041973
             16 vec=     0.000000      7.146377    -11.456663   |vec|=   13.502809
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00039196865390
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00044919353632
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002544095189
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00033289612724
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00029478586322
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00012250660049
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00013269228931
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00004541385857
                   +2 :               0.00000000000000
                   +3 :               0.00014046041973
             17 vec=     7.146377      0.000000    -11.456663   |vec|=   13.502809
                5s
                   +0 :               0.00142362402535
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00114283383424
                   +1 :               0.00122662648551
                6s
                   +0 :              -0.00058782316591
                7s
                   +0 :               0.00024059125392
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00006358943724
                   +1 :               0.00225180670006
                   +2 :              -0.00193863526457
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00024378040302
                   +1 :               0.00036551319733
                   +2 :              -0.00022597431413
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00021806853344
                   +1 :              -0.00007672645912
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002035339133
                   +1 :               0.00085782339167
                   +2 :              -0.00131737275570
                   +3 :               0.00039214798733
             18 vec=     0.000000      0.000000     13.579751   |vec|=   13.579751
                5s
                   +0 :              -0.00000000000000
                5p
                   +0 :               0.00000000000000
                   +1 :              -0.00011583218729
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00091585277263
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00022795505033
                   +2 :              -0.00000000000000
                6p
                   +0 :               0.00000000000000
                   +1 :              -0.00004969194389
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00041573570754
                   +2 :               0.00000000000000
                   +3 :              -0.00014606277819
             19 vec=   -10.719566    -10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :              -0.00031381645225
                   +0 :               0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :               0.00135614493841
                   +0 :               0.00093962323009
                   +1 :               0.00145789787449
                   +2 :              -0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :              -0.00016191341876
                   +0 :               0.00010778161816
                   +1 :              -0.00024451632751
                   +2 :               0.00015908516993
                6p
                   -1 :              -0.00025661326626
                   +0 :               0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :              -0.00095229123119
                   -2 :               0.00091644218607
                   -1 :               0.00029091851500
                   +0 :              -0.00070406379794
                   +1 :               0.00046749184551
                   +2 :               0.00033489055551
                   +3 :               0.00035824641829
             20 vec=   -10.719566     10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :               0.00031319670441
                5p
                   -1 :               0.00031381645225
                   +0 :               0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :               0.00160095662502
                7s
                   +0 :              -0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :              -0.00135614493841
                   +0 :               0.00093962323009
                   +1 :               0.00145789787449
                   +2 :              -0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :               0.00016191341876
                   +0 :               0.00010778161816
                   +1 :              -0.00024451632751
                   +2 :               0.00015908516993
                6p
                   -1 :               0.00025661326626
                   +0 :               0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :               0.00095229123119
                   -2 :              -0.00091644218607
                   -1 :              -0.00029091851500
                   +0 :              -0.00070406379794
                   +1 :               0.00046749184551
                   +2 :               0.00033489055551
                   +3 :               0.00035824641829
             21 vec=    10.719566    -10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :               0.00031381645225
                   +0 :              -0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :              -0.00241681798137
                   -1 :              -0.00135614493841
                   +0 :              -0.00093962323009
                   +1 :               0.00145789787449
                   +2 :               0.00105401398890
                6d
                   -2 :               0.00004898281401
                   -1 :               0.00016191341876
                   +0 :              -0.00010778161816
                   +1 :              -0.00024451632751
                   +2 :              -0.00015908516993
                6p
                   -1 :               0.00025661326626
                   +0 :              -0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :               0.00095229123119
                   -2 :               0.00091644218607
                   -1 :              -0.00029091851500
                   +0 :               0.00070406379794
                   +1 :               0.00046749184551
                   +2 :              -0.00033489055551
                   +3 :               0.00035824641829
             22 vec=    10.719566     10.719566      1.061544   |vec|=   15.196877
                5s
                   +0 :              -0.00031319670441
                5p
                   -1 :              -0.00031381645225
                   +0 :              -0.00048025789920
                   +1 :              -0.00024504233569
                6s
                   +0 :              -0.00160095662502
                7s
                   +0 :               0.00011351534524
                5d
                   -2 :               0.00241681798137
                   -1 :               0.00135614493841
                   +0 :              -0.00093962323009
                   +1 :               0.00145789787449
                   +2 :               0.00105401398890
                6d
                   -2 :              -0.00004898281401
                   -1 :              -0.00016191341876
                   +0 :              -0.00010778161816
                   +1 :              -0.00024451632751
                   +2 :              -0.00015908516993
                6p
                   -1 :              -0.00025661326626
                   +0 :              -0.00015357616455
                   +1 :              -0.00026724304526
                4f
                   -3 :              -0.00095229123119
                   -2 :              -0.00091644218607
                   -1 :               0.00029091851500
                   +0 :               0.00070406379794
                   +1 :               0.00046749184551
                   +2 :              -0.00033489055551
                   +3 :               0.00035824641829
             23 vec=    -7.146377     -7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :              -0.00004488562942
                   +0 :               0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :               0.00006384592461
                   +0 :               0.00015683289519
                   +1 :               0.00006989040868
                   +2 :               0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :              -0.00007041041773
                   +0 :               0.00000647198193
                   +1 :              -0.00016994547369
                   +2 :              -0.00004726088862
                6p
                   -1 :              -0.00002004912542
                   +0 :              -0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :               0.00012158775374
                   -2 :               0.00009392131604
                   -1 :               0.00004321150074
                   +0 :               0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :               0.00008298440017
                   +3 :              -0.00010460428085
             24 vec=    -7.146377      7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :               0.00003392640646
                5p
                   -1 :               0.00004488562942
                   +0 :               0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :              -0.00000161740614
                7s
                   +0 :               0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :              -0.00006384592461
                   +0 :               0.00015683289519
                   +1 :               0.00006989040868
                   +2 :               0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :               0.00007041041773
                   +0 :               0.00000647198193
                   +1 :              -0.00016994547369
                   +2 :              -0.00004726088862
                6p
                   -1 :               0.00002004912542
                   +0 :              -0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :              -0.00012158775374
                   -2 :              -0.00009392131604
                   -1 :              -0.00004321150074
                   +0 :               0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :               0.00008298440017
                   +3 :              -0.00010460428085
             25 vec=     7.146377     -7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :               0.00004488562942
                   +0 :              -0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :               0.00038511444108
                   -1 :              -0.00006384592461
                   +0 :              -0.00015683289519
                   +1 :               0.00006989040868
                   +2 :              -0.00022977658551
                6d
                   -2 :              -0.00025562669985
                   -1 :               0.00007041041773
                   +0 :              -0.00000647198193
                   +1 :              -0.00016994547369
                   +2 :               0.00004726088862
                6p
                   -1 :               0.00002004912542
                   +0 :               0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :              -0.00012158775374
                   -2 :               0.00009392131604
                   -1 :              -0.00004321150074
                   +0 :              -0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :              -0.00008298440017
                   +3 :              -0.00010460428085
             26 vec=     7.146377      7.146377    -11.456663   |vec|=   15.277321
                5s
                   +0 :              -0.00003392640646
                5p
                   -1 :              -0.00004488562942
                   +0 :              -0.00006887077924
                   +1 :              -0.00014930899228
                6s
                   +0 :               0.00000161740614
                7s
                   +0 :              -0.00005141722845
                5d
                   -2 :              -0.00038511444108
                   -1 :               0.00006384592461
                   +0 :              -0.00015683289519
                   +1 :               0.00006989040868
                   +2 :              -0.00022977658551
                6d
                   -2 :               0.00025562669985
                   -1 :              -0.00007041041773
                   +0 :              -0.00000647198193
                   +1 :              -0.00016994547369
                   +2 :               0.00004726088862
                6p
                   -1 :              -0.00002004912542
                   +0 :               0.00001831919474
                   +1 :               0.00004514766166
                4f
                   -3 :               0.00012158775374
                   -2 :              -0.00009392131604
                   -1 :               0.00004321150074
                   +0 :              -0.00012251007782
                   +1 :              -0.00000748617043
                   +2 :              -0.00008298440017
                   +3 :              -0.00010460428085
             27 vec=    -7.146377      0.000000     13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00026066645725
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00050048077745
                   +1 :               0.00012591975310
                6s
                   +0 :               0.00023571540106
                7s
                   +0 :              -0.00000323730309
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00088982523603
                   +1 :              -0.00049105000383
                   +2 :               0.00013964226262
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00004737170155
                   +1 :               0.00012188650245
                   +2 :              -0.00002548777278
                6p
                   +0 :               0.00001644833177
                   +1 :               0.00002917343109
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00060913078671
                   +1 :               0.00020807192442
                   +2 :              -0.00008361794885
                   +3 :               0.00001017176117
             28 vec=     0.000000     -7.146377     13.579751   |vec|=   15.345369
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00006150344320
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00028052027744
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00034033307734
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00007526783968
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00006081898537
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001665007872
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00000986970808
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003885346034
                   +2 :              -0.00000000000000
                   +3 :              -0.00007478109075
             29 vec=     0.000000      7.146377     13.579751   |vec|=   15.345369
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00006150344320
                6s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00028052027744
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00034033307734
                   +2 :               0.00000000000000
                6d
                   -2 :              -0.00007526783968
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00006081898537
                   +2 :               0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001665007872
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000986970808
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00003885346034
                   +2 :              -0.00000000000000
                   +3 :              -0.00007478109075
             30 vec=     7.146377      0.000000     13.579751   |vec|=   15.345369
                5s
                   +0 :              -0.00026066645725
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00050048077745
                   +1 :               0.00012591975310
                6s
                   +0 :              -0.00023571540106
                7s
                   +0 :               0.00000323730309
                5d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00088982523603
                   +1 :              -0.00049105000383
                   +2 :              -0.00013964226262
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004737170155
                   +1 :               0.00012188650245
                   +2 :               0.00002548777278
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00001644833177
                   +1 :               0.00002917343109
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00060913078671
                   +1 :               0.00020807192442
                   +2 :               0.00008361794885
                   +3 :               0.00001017176117
             31 vec=    -7.146377     -7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :               0.00003070947413
                   +0 :              -0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :              -0.00002183750112
                   +0 :              -0.00026087742881
                   +1 :              -0.00012690952574
                   +2 :               0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :              -0.00005098546629
                   +0 :               0.00013617303020
                   +1 :               0.00001268342857
                   +2 :              -0.00001846079395
                6p
                   -1 :               0.00000671037333
                   +0 :               0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :               0.00003782192348
                   -2 :               0.00000459382652
                   -1 :               0.00004417456967
                   +0 :               0.00011994927883
                   +1 :               0.00001576189199
                   +2 :              -0.00007013765147
                   +3 :              -0.00001476894557
             32 vec=    -7.146377      7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :              -0.00015033217383
                5p
                   -1 :              -0.00003070947413
                   +0 :              -0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :               0.00030515392340
                7s
                   +0 :              -0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :               0.00002183750112
                   +0 :              -0.00026087742881
                   +1 :              -0.00012690952574
                   +2 :               0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :               0.00005098546629
                   +0 :               0.00013617303020
                   +1 :               0.00001268342857
                   +2 :              -0.00001846079395
                6p
                   -1 :              -0.00000671037333
                   +0 :               0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :              -0.00003782192348
                   -2 :              -0.00000459382652
                   -1 :              -0.00004417456967
                   +0 :               0.00011994927883
                   +1 :               0.00001576189199
                   +2 :              -0.00007013765147
                   +3 :              -0.00001476894557
             33 vec=     7.146377     -7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :              -0.00003070947413
                   +0 :               0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :               0.00021492333493
                   -1 :               0.00002183750112
                   +0 :               0.00026087742881
                   +1 :              -0.00012690952574
                   +2 :              -0.00014422747494
                6d
                   -2 :              -0.00003008160883
                   -1 :               0.00005098546629
                   +0 :              -0.00013617303020
                   +1 :               0.00001268342857
                   +2 :               0.00001846079395
                6p
                   -1 :              -0.00000671037333
                   +0 :              -0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :              -0.00003782192348
                   -2 :               0.00000459382652
                   -1 :              -0.00004417456967
                   +0 :              -0.00011994927883
                   +1 :               0.00001576189199
                   +2 :               0.00007013765147
                   +3 :              -0.00001476894557
             34 vec=     7.146377      7.146377     13.579751   |vec|=   16.927819
                5s
                   +0 :               0.00015033217383
                5p
                   -1 :               0.00003070947413
                   +0 :               0.00013783044062
                   +1 :               0.00006322739405
                6s
                   +0 :              -0.00030515392340
                7s
                   +0 :               0.00003930881024
                5d
                   -2 :              -0.00021492333493
                   -1 :              -0.00002183750112
                   +0 :               0.00026087742881
                   +1 :              -0.00012690952574
                   +2 :              -0.00014422747494
                6d
                   -2 :               0.00003008160883
                   -1 :              -0.00005098546629
                   +0 :              -0.00013617303020
                   +1 :               0.00001268342857
                   +2 :               0.00001846079395
                6p
                   -1 :               0.00000671037333
                   +0 :              -0.00011926691806
                   +1 :              -0.00000332722354
                4f
                   -3 :               0.00003782192348
                   -2 :              -0.00000459382652
                   -1 :               0.00004417456967
                   +0 :              -0.00011994927883
                   +1 :               0.00001576189199
                   +2 :               0.00007013765147
                   +3 :              -0.00001476894557
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site La(  2)  npairs=  41
              1 vec=     0.000000      0.000000     -4.446467   |vec|=    4.446467
                5p
                   -1 :               0.00000000000000
                   +1 :               0.06423488351347
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.10173324011595
                   +2 :              -0.00000000000000
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00926686221903
                   +2 :              -0.00000000000000
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00686599877851
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.05840111411616
                   +2 :               0.00000000000000
                   +3 :               0.00287433085267
              2 vec=    -7.146377      0.000000     -4.446467   |vec|=    8.416756
                5s
                   +0 :              -0.00156926056906
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00092294705129
                   +1 :              -0.00173749920537
                6s
                   +0 :               0.00588515154313
                7s
                   +0 :              -0.00147221718903
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00033063720713
                   +1 :              -0.00676063706036
                   +2 :              -0.00049939821970
                6d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00112190422527
                   +1 :               0.00478536183309
                   +2 :               0.00183278833449
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00153210896897
                   +1 :              -0.00098483733367
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00039968143563
                   +1 :              -0.00025312297381
                   +2 :               0.00023779186312
                   +3 :               0.00003734056875
              3 vec=     0.000000     -7.146377     -4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00162304590006
                6s
                   +0 :               0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00242784371703
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00177887164828
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00028805989271
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00099788635188
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00030204450756
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00024543726916
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00041546490457
                   +2 :              -0.00000000000000
                   +3 :               0.00005529025623
              4 vec=     0.000000      7.146377     -4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00162304590006
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :               0.00000000000000
                5d
                   -2 :              -0.00242784371703
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00177887164828
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00028805989271
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00099788635188
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00030204450756
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00024543726916
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00041546490457
                   +2 :               0.00000000000000
                   +3 :               0.00005529025623
              5 vec=     7.146377      0.000000     -4.446467   |vec|=    8.416756
                5s
                   +0 :               0.00156926056906
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00092294705129
                   +1 :              -0.00173749920537
                6s
                   +0 :              -0.00588515154313
                7s
                   +0 :               0.00147221718903
                5d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00033063720713
                   +1 :              -0.00676063706036
                   +2 :               0.00049939821970
                6d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00112190422527
                   +1 :               0.00478536183309
                   +2 :              -0.00183278833449
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00153210896897
                   +1 :              -0.00098483733367
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00039968143563
                   +1 :              -0.00025312297381
                   +2 :              -0.00023779186312
                   +3 :               0.00003734056875
              6 vec=    -3.573189     -3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :              -0.00076200262633
                   +0 :              -0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :               0.00186077477119
                   +0 :               0.00187883008042
                   +1 :               0.00093911973712
                   +2 :               0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :               0.00013633198176
                   +0 :              -0.00041286554547
                   +1 :               0.00000061940935
                   +2 :               0.00004761904319
                6p
                   -1 :              -0.00011655971724
                   +0 :               0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :               0.00015779358523
                   -2 :              -0.00020726350561
                   -1 :              -0.00036529986384
                   +0 :              -0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :              -0.00068264512012
                   +3 :              -0.00003279114529
              7 vec=    -3.573189      3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :               0.00064640607364
                5p
                   -1 :               0.00076200262633
                   +0 :              -0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :               0.00130437669754
                7s
                   +0 :              -0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :              -0.00186077477119
                   +0 :               0.00187883008042
                   +1 :               0.00093911973712
                   +2 :               0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :              -0.00013633198176
                   +0 :              -0.00041286554547
                   +1 :               0.00000061940935
                   +2 :               0.00004761904319
                6p
                   -1 :               0.00011655971724
                   +0 :               0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :              -0.00015779358523
                   -2 :               0.00020726350561
                   -1 :               0.00036529986384
                   +0 :              -0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :              -0.00068264512012
                   +3 :              -0.00003279114529
              8 vec=     3.573189     -3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :               0.00076200262633
                   +0 :               0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :               0.00034366336009
                   -1 :              -0.00186077477119
                   +0 :              -0.00187883008042
                   +1 :               0.00093911973712
                   +2 :              -0.00111708039981
                6d
                   -2 :               0.00010811682270
                   -1 :              -0.00013633198176
                   +0 :               0.00041286554547
                   +1 :               0.00000061940935
                   +2 :              -0.00004761904319
                6p
                   -1 :               0.00011655971724
                   +0 :              -0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :              -0.00015779358523
                   -2 :              -0.00020726350561
                   -1 :               0.00036529986384
                   +0 :               0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :               0.00068264512012
                   +3 :              -0.00003279114529
              9 vec=     3.573189      3.573189      8.071740   |vec|=    9.523043
                5s
                   +0 :              -0.00064640607364
                5p
                   -1 :              -0.00076200262633
                   +0 :               0.00034395743770
                   +1 :              -0.00032279033285
                6s
                   +0 :              -0.00130437669754
                7s
                   +0 :               0.00005872492270
                5d
                   -2 :              -0.00034366336009
                   -1 :               0.00186077477119
                   +0 :              -0.00187883008042
                   +1 :               0.00093911973712
                   +2 :              -0.00111708039981
                6d
                   -2 :              -0.00010811682270
                   -1 :               0.00013633198176
                   +0 :               0.00041286554547
                   +1 :               0.00000061940935
                   +2 :              -0.00004761904319
                6p
                   -1 :              -0.00011655971724
                   +0 :              -0.00020961243973
                   +1 :               0.00016478654153
                4f
                   -3 :               0.00015779358523
                   -2 :               0.00020726350561
                   -1 :              -0.00036529986384
                   +0 :               0.00125601009783
                   +1 :              -0.00046638286491
                   +2 :               0.00068264512012
                   +3 :              -0.00003279114529
             10 vec=    -7.146377     -7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :              -0.00131121024457
                   +0 :              -0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :               0.00019542324443
                   +0 :               0.00151151593558
                   +1 :              -0.00036754792223
                   +2 :               0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :              -0.00005960073864
                   +0 :              -0.00014668510794
                   +1 :               0.00067829676413
                   +2 :              -0.00004016087647
                6p
                   -1 :              -0.00025425585277
                   +0 :              -0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :              -0.00089021872414
                   -2 :              -0.00114343686994
                   -1 :               0.00195898741525
                   +0 :               0.00038515067323
                   +1 :               0.00193134017014
                   +2 :               0.00053564333222
                   +3 :               0.00098704615542
             11 vec=    -7.146377      7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :               0.00095500045905
                5p
                   -1 :               0.00131121024457
                   +0 :              -0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :               0.00330157986453
                7s
                   +0 :              -0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :              -0.00019542324443
                   +0 :               0.00151151593558
                   +1 :              -0.00036754792223
                   +2 :               0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :               0.00005960073864
                   +0 :              -0.00014668510794
                   +1 :               0.00067829676413
                   +2 :              -0.00004016087647
                6p
                   -1 :               0.00025425585277
                   +0 :              -0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :               0.00089021872414
                   -2 :               0.00114343686994
                   -1 :              -0.00195898741525
                   +0 :               0.00038515067323
                   +1 :               0.00193134017014
                   +2 :               0.00053564333222
                   +3 :               0.00098704615542
             12 vec=     7.146377     -7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :               0.00131121024457
                   +0 :               0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :              -0.00434980234056
                   -1 :              -0.00019542324443
                   +0 :              -0.00151151593558
                   +1 :              -0.00036754792223
                   +2 :              -0.00051781253538
                6d
                   -2 :               0.00025785869103
                   -1 :               0.00005960073864
                   +0 :               0.00014668510794
                   +1 :               0.00067829676413
                   +2 :               0.00004016087647
                6p
                   -1 :               0.00025425585277
                   +0 :               0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :               0.00089021872414
                   -2 :              -0.00114343686994
                   -1 :              -0.00195898741525
                   +0 :              -0.00038515067323
                   +1 :               0.00193134017014
                   +2 :              -0.00053564333222
                   +3 :               0.00098704615542
             13 vec=     7.146377      7.146377     -4.446467   |vec|=   11.041399
                5s
                   +0 :              -0.00095500045905
                5p
                   -1 :              -0.00131121024457
                   +0 :               0.00035659795250
                   +1 :              -0.00164746801819
                6s
                   +0 :              -0.00330157986453
                7s
                   +0 :               0.00050555023475
                5d
                   -2 :               0.00434980234056
                   -1 :               0.00019542324443
                   +0 :              -0.00151151593558
                   +1 :              -0.00036754792223
                   +2 :              -0.00051781253538
                6d
                   -2 :              -0.00025785869103
                   -1 :              -0.00005960073864
                   +0 :               0.00014668510794
                   +1 :               0.00067829676413
                   +2 :               0.00004016087647
                6p
                   -1 :              -0.00025425585277
                   +0 :               0.00031597825036
                   +1 :              -0.00032003166652
                4f
                   -3 :              -0.00089021872414
                   -2 :               0.00114343686994
                   -1 :               0.00195898741525
                   +0 :              -0.00038515067323
                   +1 :               0.00193134017014
                   +2 :              -0.00053564333222
                   +3 :               0.00098704615542
             14 vec=   -10.719566     -3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :              -0.00025215604938
                   +0 :              -0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :              -0.00022923120985
                   +0 :              -0.00036883364689
                   +1 :               0.00124316127098
                   +2 :              -0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :               0.00014786637084
                   +0 :               0.00017961363509
                   +1 :              -0.00021157055676
                   +2 :               0.00015568044606
                6p
                   -1 :               0.00000927464578
                   +0 :               0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :               0.00005244663354
                   -2 :              -0.00014633114174
                   -1 :              -0.00009559393035
                   +0 :               0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :               0.00053173594407
                   +3 :              -0.00016556156303
             15 vec=   -10.719566      3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00021101693414
                5p
                   -1 :               0.00025215604938
                   +0 :              -0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :               0.00112446304383
                7s
                   +0 :              -0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :               0.00022923120985
                   +0 :              -0.00036883364689
                   +1 :               0.00124316127098
                   +2 :              -0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :              -0.00014786637084
                   +0 :               0.00017961363509
                   +1 :              -0.00021157055676
                   +2 :               0.00015568044606
                6p
                   -1 :              -0.00000927464578
                   +0 :               0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :              -0.00005244663354
                   -2 :               0.00014633114174
                   -1 :               0.00009559393035
                   +0 :               0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :               0.00053173594407
                   +3 :              -0.00016556156303
             16 vec=    -3.573189    -10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :              -0.00078957035185
                   +0 :               0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :               0.00191143558620
                   +0 :              -0.00005912043181
                   +1 :              -0.00009777446845
                   +2 :               0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :               0.00047913123547
                   +0 :              -0.00021658998147
                   +1 :               0.00003032218421
                   +2 :               0.00031822693185
                6p
                   -1 :               0.00000003594099
                   +0 :              -0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :               0.00031299304337
                   -2 :               0.00001606999526
                   -1 :              -0.00080146361794
                   +0 :               0.00004905618656
                   +1 :               0.00001753532624
                   +2 :              -0.00097093351079
                   +3 :               0.00009897536100
             17 vec=    -3.573189     10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00088272598152
                5p
                   -1 :               0.00078957035185
                   +0 :               0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :              -0.00014331718933
                7s
                   +0 :               0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :              -0.00191143558620
                   +0 :              -0.00005912043181
                   +1 :              -0.00009777446845
                   +2 :               0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :              -0.00047913123547
                   +0 :              -0.00021658998147
                   +1 :               0.00003032218421
                   +2 :               0.00031822693185
                6p
                   -1 :              -0.00000003594099
                   +0 :              -0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :              -0.00031299304337
                   -2 :              -0.00001606999526
                   -1 :               0.00080146361794
                   +0 :               0.00004905618656
                   +1 :               0.00001753532624
                   +2 :              -0.00097093351079
                   +3 :               0.00009897536100
             18 vec=     3.573189    -10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :               0.00078957035185
                   +0 :              -0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :               0.00015425123439
                   -1 :              -0.00191143558620
                   +0 :               0.00005912043181
                   +1 :              -0.00009777446845
                   +2 :              -0.00084938755558
                6d
                   -2 :              -0.00009750259000
                   -1 :              -0.00047913123547
                   +0 :               0.00021658998147
                   +1 :               0.00003032218421
                   +2 :              -0.00031822693185
                6p
                   -1 :              -0.00000003594099
                   +0 :               0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :              -0.00031299304337
                   -2 :               0.00001606999526
                   -1 :               0.00080146361794
                   +0 :              -0.00004905618656
                   +1 :               0.00001753532624
                   +2 :               0.00097093351079
                   +3 :               0.00009897536100
             19 vec=     3.573189     10.719566      8.071740   |vec|=   13.886315
                5s
                   +0 :              -0.00088272598152
                5p
                   -1 :              -0.00078957035185
                   +0 :              -0.00055579038715
                   +1 :               0.00008156860823
                6s
                   +0 :               0.00014331718933
                7s
                   +0 :              -0.00025969889199
                5d
                   -2 :              -0.00015425123439
                   -1 :               0.00191143558620
                   +0 :               0.00005912043181
                   +1 :              -0.00009777446845
                   +2 :              -0.00084938755558
                6d
                   -2 :               0.00009750259000
                   -1 :               0.00047913123547
                   +0 :               0.00021658998147
                   +1 :               0.00003032218421
                   +2 :              -0.00031822693185
                6p
                   -1 :               0.00000003594099
                   +0 :               0.00000518886618
                   +1 :               0.00001049759554
                4f
                   -3 :               0.00031299304337
                   -2 :              -0.00001606999526
                   -1 :              -0.00080146361794
                   +0 :              -0.00004905618656
                   +1 :               0.00001753532624
                   +2 :               0.00097093351079
                   +3 :               0.00009897536100
             20 vec=    10.719566     -3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :               0.00025215604938
                   +0 :               0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :               0.00001724120031
                   -1 :               0.00022923120985
                   +0 :               0.00036883364689
                   +1 :               0.00124316127098
                   +2 :               0.00137471380623
                6d
                   -2 :              -0.00011646549054
                   -1 :              -0.00014786637084
                   +0 :              -0.00017961363509
                   +1 :              -0.00021157055676
                   +2 :              -0.00015568044606
                6p
                   -1 :              -0.00000927464578
                   +0 :              -0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :              -0.00005244663354
                   -2 :              -0.00014633114174
                   -1 :               0.00009559393035
                   +0 :              -0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :              -0.00053173594407
                   +3 :              -0.00016556156303
             21 vec=    10.719566      3.573189      8.071740   |vec|=   13.886315
                5s
                   +0 :               0.00021101693414
                5p
                   -1 :              -0.00025215604938
                   +0 :               0.00020715913466
                   +1 :               0.00023983643438
                6s
                   +0 :              -0.00112446304383
                7s
                   +0 :               0.00016269959425
                5d
                   -2 :              -0.00001724120031
                   -1 :              -0.00022923120985
                   +0 :               0.00036883364689
                   +1 :               0.00124316127098
                   +2 :               0.00137471380623
                6d
                   -2 :               0.00011646549054
                   -1 :               0.00014786637084
                   +0 :              -0.00017961363509
                   +1 :              -0.00021157055676
                   +2 :              -0.00015568044606
                6p
                   -1 :               0.00000927464578
                   +0 :              -0.00009002709098
                   +1 :              -0.00025283352978
                4f
                   -3 :               0.00005244663354
                   -2 :               0.00014633114174
                   -1 :              -0.00009559393035
                   +0 :              -0.00009197114518
                   +1 :              -0.00040462870494
                   +2 :              -0.00053173594407
                   +3 :              -0.00016556156303
             22 vec=   -14.292755      0.000000     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00003671152910
                5p
                   -1 :               0.00000000000000
                   +0 :              -0.00008331959673
                   +1 :               0.00020084385193
                6s
                   +0 :               0.00010051679474
                7s
                   +0 :               0.00007013697343
                5d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00011880225193
                   +1 :               0.00039836717465
                   +2 :               0.00119406541142
                6d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00002220167958
                   +1 :              -0.00026029149671
                   +2 :              -0.00029775500165
                6p
                   -1 :               0.00000000000000
                   +0 :               0.00006376280401
                   +1 :              -0.00016673825626
                4f
                   -3 :               0.00000000000000
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00014142973199
                   +1 :              -0.00019863543936
                   +2 :               0.00042612379447
                   +3 :               0.00045109182092
             23 vec=     0.000000    -14.292755     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001366061391
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :               0.00006818952292
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00005268732700
                   +2 :               0.00000000000000
                6d
                   -2 :               0.00004150739544
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002237073782
                   +2 :              -0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000011024277
                4f
                   -3 :              -0.00000000000000
                   -2 :              -0.00003375030344
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00010770067462
                   +2 :               0.00000000000000
                   +3 :              -0.00013892566273
             24 vec=     0.000000     14.292755     -4.446467   |vec|=   14.968430
                5s
                   +0 :              -0.00000000000000
                5p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001366061391
                6s
                   +0 :              -0.00000000000000
                7s
                   +0 :              -0.00000000000000
                5d
                   -2 :              -0.00006818952292
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005268732700
                   +2 :              -0.00000000000000
                6d
                   -2 :              -0.00004150739544
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002237073782
                   +2 :               0.00000000000000
                6p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000011024277
                4f
                   -3 :              -0.00000000000000
                   -2 :               0.00003375030344
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00010770067462
                   +2 :              -0.00000000000000
                   +3 :              -0.00013892566273
             25 vec=    14.292755      0.000000     -4.446467   |vec|=   14.968430
                5s
                   +0 :               0.00003671152910
                5p
                   -1 :               0.00000000000000
                   +0 :               0.00008331959673
                   +1 :               0.00020084385193
                6s
                   +0 :              -0.00010051679474
                7s
                   +0 :              -0.00007013697343
                5d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00011880225193
                   +1 :               0.00039836717465
                   +2 :              -0.00119406541142
                6d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00002220167958
                   +1 :              -0.00026029149671
                   +2 :               0.00029775500165
                6p
                   -1 :               0.00000000000000
                   +0 :              -0.00006376280401
                   +1 :              -0.00016673825626
                4f
                   -3 :               0.00000000000000
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00014142973199
                   +1 :              -0.00019863543936
                   +2 :              -0.00042612379447
                   +3 :               0.00045109182092
             26 vec=   -14.292755     -7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :               0.00006340173054
                   +0 :              -0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :               0.00004528706388
                   +0 :               0.00012885625891
                   +1 :               0.00002109344358
                   +2 :               0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :               0.00001704004619
                   +0 :               0.00000217085357
                   +1 :              -0.00001782824303
                   +2 :              -0.00007098342465
                6p
                   -1 :              -0.00003218903962
                   +0 :               0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :               0.00002409897074
                   -2 :               0.00003778975261
                   -1 :               0.00008389061919
                   +0 :              -0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :               0.00027728800124
                   +3 :               0.00033025840688
             27 vec=   -14.292755      7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00006869365776
                5p
                   -1 :              -0.00006340173054
                   +0 :              -0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :               0.00039635139263
                7s
                   +0 :              -0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :              -0.00004528706388
                   +0 :               0.00012885625891
                   +1 :               0.00002109344358
                   +2 :               0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :              -0.00001704004619
                   +0 :               0.00000217085357
                   +1 :              -0.00001782824303
                   +2 :              -0.00007098342465
                6p
                   -1 :               0.00003218903962
                   +0 :               0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :              -0.00002409897074
                   -2 :              -0.00003778975261
                   -1 :              -0.00008389061919
                   +0 :              -0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :               0.00027728800124
                   +3 :               0.00033025840688
             28 vec=    -7.146377    -14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :              -0.00005581222147
                   +0 :               0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :              -0.00018624562078
                   +0 :               0.00016768121631
                   +1 :               0.00005902356971
                   +2 :               0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :               0.00008843535406
                   +0 :              -0.00002016167208
                   +1 :               0.00001983821299
                   +2 :              -0.00010138405863
                6p
                   -1 :              -0.00013217137715
                   +0 :              -0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :               0.00012674618846
                   -2 :               0.00002473436885
                   -1 :               0.00006799674666
                   +0 :               0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :               0.00018554806550
                   +3 :               0.00007163611924
             29 vec=    -7.146377     14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :              -0.00008421065103
                5p
                   -1 :               0.00005581222147
                   +0 :               0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :               0.00037220552547
                7s
                   +0 :              -0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :               0.00018624562078
                   +0 :               0.00016768121631
                   +1 :               0.00005902356971
                   +2 :               0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :              -0.00008843535406
                   +0 :              -0.00002016167208
                   +1 :               0.00001983821299
                   +2 :              -0.00010138405863
                6p
                   -1 :               0.00013217137715
                   +0 :              -0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :              -0.00012674618846
                   -2 :              -0.00002473436885
                   -1 :              -0.00006799674666
                   +0 :               0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :               0.00018554806550
                   +3 :               0.00007163611924
             30 vec=     7.146377    -14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :               0.00005581222147
                   +0 :              -0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :               0.00005275197792
                   -1 :               0.00018624562078
                   +0 :              -0.00016768121631
                   +1 :               0.00005902356971
                   +2 :              -0.00047880164242
                6d
                   -2 :              -0.00003910918965
                   -1 :              -0.00008843535406
                   +0 :               0.00002016167208
                   +1 :               0.00001983821299
                   +2 :               0.00010138405863
                6p
                   -1 :               0.00013217137715
                   +0 :               0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :              -0.00012674618846
                   -2 :               0.00002473436885
                   -1 :              -0.00006799674666
                   +0 :              -0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :              -0.00018554806550
                   +3 :               0.00007163611924
             31 vec=     7.146377     14.292755     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00008421065103
                5p
                   -1 :              -0.00005581222147
                   +0 :              -0.00001021296756
                   +1 :               0.00003703098104
                6s
                   +0 :              -0.00037220552547
                7s
                   +0 :               0.00004724142558
                5d
                   -2 :              -0.00005275197792
                   -1 :              -0.00018624562078
                   +0 :              -0.00016768121631
                   +1 :               0.00005902356971
                   +2 :              -0.00047880164242
                6d
                   -2 :               0.00003910918965
                   -1 :               0.00008843535406
                   +0 :               0.00002016167208
                   +1 :               0.00001983821299
                   +2 :               0.00010138405863
                6p
                   -1 :              -0.00013217137715
                   +0 :               0.00003087067859
                   +1 :               0.00003806824453
                4f
                   -3 :               0.00012674618846
                   -2 :              -0.00002473436885
                   -1 :               0.00006799674666
                   +0 :              -0.00005244608015
                   +1 :              -0.00000139018307
                   +2 :              -0.00018554806550
                   +3 :               0.00007163611924
             32 vec=    14.292755     -7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :              -0.00006340173054
                   +0 :               0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :              -0.00008703804100
                   -1 :              -0.00004528706388
                   +0 :              -0.00012885625891
                   +1 :               0.00002109344358
                   +2 :              -0.00072606264899
                6d
                   -2 :               0.00000180652405
                   -1 :              -0.00001704004619
                   +0 :              -0.00000217085357
                   +1 :              -0.00001782824303
                   +2 :               0.00007098342465
                6p
                   -1 :               0.00003218903962
                   +0 :              -0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :              -0.00002409897074
                   -2 :               0.00003778975261
                   -1 :              -0.00008389061919
                   +0 :               0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :              -0.00027728800124
                   +3 :               0.00033025840688
             33 vec=    14.292755      7.146377     -4.446467   |vec|=   16.586881
                5s
                   +0 :               0.00006869365776
                5p
                   -1 :               0.00006340173054
                   +0 :               0.00012082877211
                   +1 :               0.00002596811932
                6s
                   +0 :              -0.00039635139263
                7s
                   +0 :               0.00005475778292
                5d
                   -2 :               0.00008703804100
                   -1 :               0.00004528706388
                   +0 :              -0.00012885625891
                   +1 :               0.00002109344358
                   +2 :              -0.00072606264899
                6d
                   -2 :              -0.00000180652405
                   -1 :               0.00001704004619
                   +0 :              -0.00000217085357
                   +1 :              -0.00001782824303
                   +2 :               0.00007098342465
                6p
                   -1 :              -0.00003218903962
                   +0 :              -0.00001823055382
                   +1 :              -0.00010658084364
                4f
                   -3 :               0.00002409897074
                   -2 :              -0.00003778975261
                   -1 :               0.00008389061919
                   +0 :               0.00001145045249
                   +1 :              -0.00002633747784
                   +2 :              -0.00027728800124
                   +3 :               0.00033025840688
             34 vec=   -10.719566    -10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :              -0.00001784522614
                   +0 :              -0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :               0.00000645898121
                   +0 :               0.00005710908902
                   +1 :               0.00006563698457
                   +2 :              -0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :              -0.00006353251969
                   +0 :              -0.00002749191816
                   +1 :              -0.00003147497634
                   +2 :               0.00000691475844
                6p
                   -1 :               0.00000161281955
                   +0 :               0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :              -0.00016672000716
                   -2 :              -0.00001896871303
                   -1 :              -0.00005325970660
                   +0 :               0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :               0.00003542040258
                   +3 :               0.00000310559823
             35 vec=   -10.719566     10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :               0.00009535972306
                5p
                   -1 :               0.00001784522614
                   +0 :              -0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :               0.00005474635041
                7s
                   +0 :               0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :              -0.00000645898121
                   +0 :               0.00005710908902
                   +1 :               0.00006563698457
                   +2 :              -0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :               0.00006353251969
                   +0 :              -0.00002749191816
                   +1 :              -0.00003147497634
                   +2 :               0.00000691475844
                6p
                   -1 :              -0.00000161281955
                   +0 :               0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :               0.00016672000716
                   -2 :               0.00001896871303
                   -1 :               0.00005325970660
                   +0 :               0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :               0.00003542040258
                   +3 :               0.00000310559823
             36 vec=    10.719566    -10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :               0.00001784522614
                   +0 :               0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :              -0.00019814657789
                   -1 :              -0.00000645898121
                   +0 :              -0.00005710908902
                   +1 :               0.00006563698457
                   +2 :               0.00044625324174
                6d
                   -2 :               0.00010806239243
                   -1 :               0.00006353251969
                   +0 :               0.00002749191816
                   +1 :              -0.00003147497634
                   +2 :              -0.00000691475844
                6p
                   -1 :              -0.00000161281955
                   +0 :              -0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :               0.00016672000716
                   -2 :              -0.00001896871303
                   -1 :               0.00005325970660
                   +0 :              -0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :              -0.00003542040258
                   +3 :               0.00000310559823
             37 vec=    10.719566     10.719566      8.071740   |vec|=   17.174725
                5s
                   +0 :              -0.00009535972306
                5p
                   -1 :              -0.00001784522614
                   +0 :               0.00003176316408
                   +1 :              -0.00004815290125
                6s
                   +0 :              -0.00005474635041
                7s
                   +0 :              -0.00000346647364
                5d
                   -2 :               0.00019814657789
                   -1 :               0.00000645898121
                   +0 :              -0.00005710908902
                   +1 :               0.00006563698457
                   +2 :               0.00044625324174
                6d
                   -2 :              -0.00010806239243
                   -1 :              -0.00006353251969
                   +0 :               0.00002749191816
                   +1 :              -0.00003147497634
                   +2 :              -0.00000691475844
                6p
                   -1 :               0.00000161281955
                   +0 :              -0.00002158658554
                   +1 :               0.00001561075493
                4f
                   -3 :              -0.00016672000716
                   -2 :               0.00001896871303
                   -1 :              -0.00005325970660
                   +0 :              -0.00002582654159
                   +1 :              -0.00004349454178
                   +2 :              -0.00003542040258
                   +3 :               0.00000310559823
             38 vec=    -3.573189     -3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :               0.00008976458596
                   +0 :              -0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :              -0.00020898222859
                   +0 :               0.00024682303584
                   +1 :              -0.00000123796509
                   +2 :               0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :               0.00007379173922
                   +0 :              -0.00018821339040
                   +1 :              -0.00005710446136
                   +2 :              -0.00003336600327
                6p
                   -1 :              -0.00007073409934
                   +0 :               0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :              -0.00000019253933
                   -2 :               0.00001870264096
                   -1 :              -0.00002115570034
                   +0 :               0.00002027663874
                   +1 :               0.00000072993363
                   +2 :               0.00001482938036
                   +3 :               0.00001006219202
             39 vec=    -3.573189      3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :               0.00007070199364
                5p
                   -1 :              -0.00008976458596
                   +0 :              -0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :              -0.00014622014754
                7s
                   +0 :               0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :               0.00020898222859
                   +0 :               0.00024682303584
                   +1 :              -0.00000123796509
                   +2 :               0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :              -0.00007379173922
                   +0 :              -0.00018821339040
                   +1 :              -0.00005710446136
                   +2 :              -0.00003336600327
                6p
                   -1 :               0.00007073409934
                   +0 :               0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :               0.00000019253933
                   -2 :              -0.00001870264096
                   -1 :               0.00002115570034
                   +0 :               0.00002027663874
                   +1 :               0.00000072993363
                   +2 :               0.00001482938036
                   +3 :               0.00001006219202
             40 vec=     3.573189     -3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :              -0.00008976458596
                   +0 :               0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :              -0.00016503740802
                   -1 :               0.00020898222859
                   +0 :              -0.00024682303584
                   +1 :              -0.00000123796509
                   +2 :              -0.00006810439307
                6d
                   -2 :               0.00007091990607
                   -1 :              -0.00007379173922
                   +0 :               0.00018821339040
                   +1 :              -0.00005710446136
                   +2 :               0.00003336600327
                6p
                   -1 :               0.00007073409934
                   +0 :              -0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :               0.00000019253933
                   -2 :               0.00001870264096
                   -1 :               0.00002115570034
                   +0 :              -0.00002027663874
                   +1 :               0.00000072993363
                   +2 :              -0.00001482938036
                   +3 :               0.00001006219202
             41 vec=     3.573189      3.573189    -16.964674   |vec|=   17.701286
                5s
                   +0 :              -0.00007070199364
                5p
                   -1 :               0.00008976458596
                   +0 :               0.00014533634753
                   +1 :               0.00002360839837
                6s
                   +0 :               0.00014622014754
                7s
                   +0 :              -0.00003773550667
                5d
                   -2 :               0.00016503740802
                   -1 :              -0.00020898222859
                   +0 :              -0.00024682303584
                   +1 :              -0.00000123796509
                   +2 :              -0.00006810439307
                6d
                   -2 :              -0.00007091990607
                   -1 :               0.00007379173922
                   +0 :               0.00018821339040
                   +1 :              -0.00005710446136
                   +2 :               0.00003336600327
                6p
                   -1 :              -0.00007073409934
                   +0 :              -0.00006117924528
                   +1 :              -0.00005503489882
                4f
                   -3 :              -0.00000019253933
                   -2 :              -0.00001870264096
                   -1 :              -0.00002115570034
                   +0 :              -0.00002027663874
                   +1 :               0.00000072993363
                   +2 :              -0.00001482938036
                   +3 :               0.00001006219202
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site Cu(  3)  npairs=  41
              1 vec=     0.000000      0.000000      4.566642   |vec|=    4.566642
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00154920633673
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.01699948011712
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.00423109465749
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.01281094992684
              2 vec=    -7.146377      0.000000      4.566642   |vec|=    8.480857
                3s
                   +0 :              -0.00011919601940
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00033955613524
                   +1 :              -0.00018634064339
                4s
                   +0 :               0.00610130489386
                5s
                   +0 :              -0.00064426574966
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00008437541586
                   +1 :               0.00276821179246
                   +2 :              -0.00057999411520
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002700670439
                   +1 :               0.00033398569434
                   +2 :               0.00039242701153
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00292397380679
                   +1 :              -0.00113154699925
              3 vec=     0.000000     -7.146377      4.566642   |vec|=    8.480857
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00071247635536
                4s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00113470050757
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00256662905269
                   +2 :              -0.00000000000000
                4d
                   -2 :              -0.00008152049477
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00015671132452
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00177912972407
              4 vec=     0.000000      7.146377      4.566642   |vec|=    8.480857
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00071247635536
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00113470050757
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00256662905269
                   +2 :               0.00000000000000
                4d
                   -2 :               0.00008152049477
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00015671132452
                   +2 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00177912972407
              5 vec=     7.146377      0.000000      4.566642   |vec|=    8.480857
                3s
                   +0 :               0.00011919601940
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00033955613524
                   +1 :              -0.00018634064339
                4s
                   +0 :              -0.00610130489386
                5s
                   +0 :               0.00064426574966
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00008437541586
                   +1 :               0.00276821179246
                   +2 :               0.00057999411520
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00002700670439
                   +1 :               0.00033398569434
                   +2 :              -0.00039242701153
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00292397380679
                   +1 :              -0.00113154699925
              6 vec=    -3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :              -0.00067281332221
                   +0 :              -0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :              -0.00125291215803
                   +0 :              -0.00131766148908
                   +1 :              -0.00230246937535
                   +2 :               0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :              -0.00031915726635
                   +0 :              -0.00002812420616
                   +1 :              -0.00017223500809
                   +2 :               0.00029019768710
                4p
                   -1 :               0.00211095571023
                   +0 :              -0.00016296441063
                   +1 :               0.00107918021691
              7 vec=    -3.573189      3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :              -0.00041252314008
                3p
                   -1 :               0.00067281332221
                   +0 :              -0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :               0.00567266131232
                5s
                   +0 :              -0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :               0.00125291215803
                   +0 :              -0.00131766148908
                   +1 :              -0.00230246937535
                   +2 :               0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :               0.00031915726635
                   +0 :              -0.00002812420616
                   +1 :              -0.00017223500809
                   +2 :               0.00029019768710
                4p
                   -1 :              -0.00211095571023
                   +0 :              -0.00016296441063
                   +1 :               0.00107918021691
              8 vec=     3.573189     -3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :               0.00067281332221
                   +0 :               0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :              -0.00034257700101
                   -1 :               0.00125291215803
                   +0 :               0.00131766148908
                   +1 :              -0.00230246937535
                   +2 :              -0.00053237715949
                4d
                   -2 :              -0.00025940573281
                   -1 :               0.00031915726635
                   +0 :               0.00002812420616
                   +1 :              -0.00017223500809
                   +2 :              -0.00029019768710
                4p
                   -1 :              -0.00211095571023
                   +0 :               0.00016296441063
                   +1 :               0.00107918021691
              9 vec=     3.573189      3.573189     -7.951565   |vec|=    9.421398
                3s
                   +0 :               0.00041252314008
                3p
                   -1 :              -0.00067281332221
                   +0 :               0.00005070653414
                   +1 :              -0.00050739136822
                4s
                   +0 :              -0.00567266131232
                5s
                   +0 :               0.00278473874973
                3d
                   -2 :               0.00034257700101
                   -1 :              -0.00125291215803
                   +0 :               0.00131766148908
                   +1 :              -0.00230246937535
                   +2 :              -0.00053237715949
                4d
                   -2 :               0.00025940573281
                   -1 :              -0.00031915726635
                   +0 :               0.00002812420616
                   +1 :              -0.00017223500809
                   +2 :              -0.00029019768710
                4p
                   -1 :               0.00211095571023
                   +0 :               0.00016296441063
                   +1 :               0.00107918021691
             10 vec=    -7.146377     -7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :               0.00019887762691
                   +0 :              -0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :              -0.00240082574909
                   +0 :               0.00100526363471
                   +1 :              -0.00107440617868
                   +2 :              -0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :              -0.00019642538137
                   +0 :               0.00036748391435
                   +1 :              -0.00046621922818
                   +2 :               0.00021169365812
                4p
                   -1 :              -0.00051664534082
                   +0 :               0.00136244125457
                   +1 :              -0.00128580211683
             11 vec=    -7.146377      7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :              -0.00044733028186
                3p
                   -1 :              -0.00019887762691
                   +0 :              -0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :              -0.00186285367960
                5s
                   +0 :               0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :               0.00240082574909
                   +0 :               0.00100526363471
                   +1 :              -0.00107440617868
                   +2 :              -0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :               0.00019642538137
                   +0 :               0.00036748391435
                   +1 :              -0.00046621922818
                   +2 :               0.00021169365812
                4p
                   -1 :               0.00051664534082
                   +0 :               0.00136244125457
                   +1 :              -0.00128580211683
             12 vec=     7.146377     -7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :              -0.00019887762691
                   +0 :               0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :               0.00123006240468
                   -1 :               0.00240082574909
                   +0 :              -0.00100526363471
                   +1 :              -0.00107440617868
                   +2 :               0.00017518303059
                4d
                   -2 :               0.00023988283799
                   -1 :               0.00019642538137
                   +0 :              -0.00036748391435
                   +1 :              -0.00046621922818
                   +2 :              -0.00021169365812
                4p
                   -1 :               0.00051664534082
                   +0 :              -0.00136244125457
                   +1 :              -0.00128580211683
             13 vec=     7.146377      7.146377      4.566642   |vec|=   11.090340
                3s
                   +0 :               0.00044733028186
                3p
                   -1 :               0.00019887762691
                   +0 :               0.00028885568741
                   +1 :               0.00055894286813
                4s
                   +0 :               0.00186285367960
                5s
                   +0 :              -0.00149916297848
                3d
                   -2 :              -0.00123006240468
                   -1 :              -0.00240082574909
                   +0 :              -0.00100526363471
                   +1 :              -0.00107440617868
                   +2 :               0.00017518303059
                4d
                   -2 :              -0.00023988283799
                   -1 :              -0.00019642538137
                   +0 :              -0.00036748391435
                   +1 :              -0.00046621922818
                   +2 :              -0.00021169365812
                4p
                   -1 :              -0.00051664534082
                   +0 :              -0.00136244125457
                   +1 :              -0.00128580211683
             14 vec=   -10.719566     -3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :               0.00012442379058
                   +0 :               0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :               0.00004742787416
                   +0 :               0.00006758510071
                   +1 :               0.00016897529233
                   +2 :              -0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :               0.00003447286804
                   +0 :              -0.00002282982624
                   +1 :              -0.00019328053161
                   +2 :              -0.00011411323106
                4p
                   -1 :              -0.00017108780475
                   +0 :              -0.00006556867971
                   +1 :              -0.00005767529106
             15 vec=   -10.719566      3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00008845132362
                3p
                   -1 :              -0.00012442379058
                   +0 :               0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :              -0.00133387698295
                5s
                   +0 :               0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :              -0.00004742787416
                   +0 :               0.00006758510071
                   +1 :               0.00016897529233
                   +2 :              -0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :              -0.00003447286804
                   +0 :              -0.00002282982624
                   +1 :              -0.00019328053161
                   +2 :              -0.00011411323106
                4p
                   -1 :               0.00017108780475
                   +0 :              -0.00006556867971
                   +1 :              -0.00005767529106
             16 vec=    -3.573189    -10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :              -0.00020085219989
                   +0 :               0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :              -0.00022220762080
                   +0 :              -0.00009747487988
                   +1 :              -0.00000922066118
                   +2 :              -0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :              -0.00003306842578
                   +0 :               0.00000513199327
                   +1 :               0.00000077908277
                   +2 :               0.00003579849061
                4p
                   -1 :               0.00030512505669
                   +0 :               0.00015521152237
                   +1 :               0.00006889036901
             17 vec=    -3.573189     10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :               0.00016157339471
                3p
                   -1 :               0.00020085219989
                   +0 :               0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :               0.00038291683784
                5s
                   +0 :              -0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :               0.00022220762080
                   +0 :              -0.00009747487988
                   +1 :              -0.00000922066118
                   +2 :              -0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :               0.00003306842578
                   +0 :               0.00000513199327
                   +1 :               0.00000077908277
                   +2 :               0.00003579849061
                4p
                   -1 :              -0.00030512505669
                   +0 :               0.00015521152237
                   +1 :               0.00006889036901
             18 vec=     3.573189    -10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :               0.00020085219989
                   +0 :              -0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :               0.00000523382577
                   -1 :               0.00022220762080
                   +0 :               0.00009747487988
                   +1 :              -0.00000922066118
                   +2 :               0.00025021917819
                4d
                   -2 :              -0.00001173414109
                   -1 :               0.00003306842578
                   +0 :              -0.00000513199327
                   +1 :               0.00000077908277
                   +2 :              -0.00003579849061
                4p
                   -1 :              -0.00030512505669
                   +0 :              -0.00015521152237
                   +1 :               0.00006889036901
             19 vec=     3.573189     10.719566     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00016157339471
                3p
                   -1 :              -0.00020085219989
                   +0 :              -0.00001243170610
                   +1 :              -0.00001580242235
                4s
                   +0 :              -0.00038291683784
                5s
                   +0 :               0.00028077697810
                3d
                   -2 :              -0.00000523382577
                   -1 :              -0.00022220762080
                   +0 :               0.00009747487988
                   +1 :              -0.00000922066118
                   +2 :               0.00025021917819
                4d
                   -2 :               0.00001173414109
                   -1 :              -0.00003306842578
                   +0 :              -0.00000513199327
                   +1 :               0.00000077908277
                   +2 :              -0.00003579849061
                4p
                   -1 :               0.00030512505669
                   +0 :              -0.00015521152237
                   +1 :               0.00006889036901
             20 vec=    10.719566     -3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :              -0.00012442379058
                   +0 :              -0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :               0.00015667702870
                   -1 :              -0.00004742787416
                   +0 :              -0.00006758510071
                   +1 :               0.00016897529233
                   +2 :               0.00011522398479
                4d
                   -2 :               0.00007933009376
                   -1 :              -0.00003447286804
                   +0 :               0.00002282982624
                   +1 :              -0.00019328053161
                   +2 :               0.00011411323106
                4p
                   -1 :               0.00017108780475
                   +0 :               0.00006556867971
                   +1 :              -0.00005767529106
             21 vec=    10.719566      3.573189     -7.951565   |vec|=   13.816807
                3s
                   +0 :              -0.00008845132362
                3p
                   -1 :               0.00012442379058
                   +0 :              -0.00014922866345
                   +1 :               0.00013953963385
                4s
                   +0 :               0.00133387698295
                5s
                   +0 :              -0.00076587385795
                3d
                   -2 :              -0.00015667702870
                   -1 :               0.00004742787416
                   +0 :              -0.00006758510071
                   +1 :               0.00016897529233
                   +2 :               0.00011522398479
                4d
                   -2 :              -0.00007933009376
                   -1 :               0.00003447286804
                   +0 :               0.00002282982624
                   +1 :              -0.00019328053161
                   +2 :               0.00011411323106
                4p
                   -1 :              -0.00017108780475
                   +0 :               0.00006556867971
                   +1 :              -0.00005767529106
             22 vec=   -14.292755      0.000000      4.566642   |vec|=   15.004568
                3s
                   +0 :               0.00014225101179
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00005462838298
                   +1 :              -0.00015707250399
                4s
                   +0 :               0.00000399436066
                5s
                   +0 :               0.00009075974509
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00005104766117
                   +1 :              -0.00012182963132
                   +2 :               0.00038709247160
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00002860307136
                   +1 :               0.00001949253423
                   +2 :              -0.00002678994363
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00018193858482
                   +1 :               0.00010129675204
             23 vec=     0.000000    -14.292755      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001128356712
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00011220193478
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00003574631421
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.00005482291506
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001833636026
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00021960517224
             24 vec=     0.000000     14.292755      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00001128356712
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00011220193478
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00003574631421
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00005482291506
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00001833636026
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00021960517224
             25 vec=    14.292755      0.000000      4.566642   |vec|=   15.004568
                3s
                   +0 :              -0.00014225101179
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00005462838298
                   +1 :              -0.00015707250399
                4s
                   +0 :              -0.00000399436066
                5s
                   +0 :              -0.00009075974509
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00005104766117
                   +1 :              -0.00012182963132
                   +2 :              -0.00038709247160
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00002860307136
                   +1 :               0.00001949253423
                   +2 :               0.00002678994363
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00018193858482
                   +1 :               0.00010129675204
             26 vec=   -14.292755     -7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :               0.00001801290427
                   +0 :              -0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :              -0.00009569011579
                   +0 :               0.00003192436203
                   +1 :               0.00001833886434
                   +2 :              -0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :              -0.00001171377959
                   +0 :               0.00001475269599
                   +1 :               0.00001337244268
                   +2 :              -0.00002912522546
                4p
                   -1 :              -0.00004888607409
                   +0 :               0.00011010285769
                   +1 :              -0.00001548322505
             27 vec=   -14.292755      7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00004125470469
                3p
                   -1 :              -0.00001801290427
                   +0 :              -0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :              -0.00004292757357
                5s
                   +0 :               0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :               0.00009569011579
                   +0 :               0.00003192436203
                   +1 :               0.00001833886434
                   +2 :              -0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :               0.00001171377959
                   +0 :               0.00001475269599
                   +1 :               0.00001337244268
                   +2 :              -0.00002912522546
                4p
                   -1 :               0.00004888607409
                   +0 :               0.00011010285769
                   +1 :              -0.00001548322505
             28 vec=    -7.146377    -14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :               0.00000332716300
                   +0 :              -0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :              -0.00001088249042
                   +0 :              -0.00000826667793
                   +1 :              -0.00003875055170
                   +2 :              -0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :              -0.00003257296674
                   +0 :              -0.00001958990877
                   +1 :              -0.00001790036825
                   +2 :              -0.00001681378650
                4p
                   -1 :              -0.00005851222729
                   +0 :               0.00002574616713
                   +1 :               0.00006567030106
             29 vec=    -7.146377     14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :              -0.00008044855299
                3p
                   -1 :              -0.00000332716300
                   +0 :              -0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :               0.00034001166759
                5s
                   +0 :              -0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :               0.00001088249042
                   +0 :              -0.00000826667793
                   +1 :              -0.00003875055170
                   +2 :              -0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :               0.00003257296674
                   +0 :              -0.00001958990877
                   +1 :              -0.00001790036825
                   +2 :              -0.00001681378650
                4p
                   -1 :               0.00005851222729
                   +0 :               0.00002574616713
                   +1 :               0.00006567030106
             30 vec=     7.146377    -14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :              -0.00000332716300
                   +0 :               0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :              -0.00000213332639
                   -1 :               0.00001088249042
                   +0 :               0.00000826667793
                   +1 :              -0.00003875055170
                   +2 :               0.00005950204721
                4d
                   -2 :               0.00000612078073
                   -1 :               0.00003257296674
                   +0 :               0.00001958990877
                   +1 :              -0.00001790036825
                   +2 :               0.00001681378650
                4p
                   -1 :               0.00005851222729
                   +0 :              -0.00002574616713
                   +1 :               0.00006567030106
             31 vec=     7.146377     14.292755      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00008044855299
                3p
                   -1 :               0.00000332716300
                   +0 :               0.00002295997326
                   +1 :               0.00000671655690
                4s
                   +0 :              -0.00034001166759
                5s
                   +0 :               0.00014891126405
                3d
                   -2 :               0.00000213332639
                   -1 :              -0.00001088249042
                   +0 :               0.00000826667793
                   +1 :              -0.00003875055170
                   +2 :               0.00005950204721
                4d
                   -2 :              -0.00000612078073
                   -1 :              -0.00003257296674
                   +0 :               0.00001958990877
                   +1 :              -0.00001790036825
                   +2 :               0.00001681378650
                4p
                   -1 :              -0.00005851222729
                   +0 :              -0.00002574616713
                   +1 :               0.00006567030106
             32 vec=    14.292755     -7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :              -0.00001801290427
                   +0 :               0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :               0.00006504108287
                   -1 :               0.00009569011579
                   +0 :              -0.00003192436203
                   +1 :               0.00001833886434
                   +2 :               0.00004745979458
                4d
                   -2 :              -0.00000393116008
                   -1 :               0.00001171377959
                   +0 :              -0.00001475269599
                   +1 :               0.00001337244268
                   +2 :               0.00002912522546
                4p
                   -1 :               0.00004888607409
                   +0 :              -0.00011010285769
                   +1 :              -0.00001548322505
             33 vec=    14.292755      7.146377      4.566642   |vec|=   16.619499
                3s
                   +0 :               0.00004125470469
                3p
                   -1 :               0.00001801290427
                   +0 :               0.00005193217242
                   +1 :               0.00004112723163
                4s
                   +0 :               0.00004292757357
                5s
                   +0 :              -0.00019373533339
                3d
                   -2 :              -0.00006504108287
                   -1 :              -0.00009569011579
                   +0 :              -0.00003192436203
                   +1 :               0.00001833886434
                   +2 :               0.00004745979458
                4d
                   -2 :               0.00000393116008
                   -1 :              -0.00001171377959
                   +0 :              -0.00001475269599
                   +1 :               0.00001337244268
                   +2 :               0.00002912522546
                4p
                   -1 :              -0.00004888607409
                   +0 :              -0.00011010285769
                   +1 :              -0.00001548322505
             34 vec=   -10.719566    -10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :               0.00005162706053
                   +0 :               0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :               0.00005778624528
                   +0 :               0.00009567853838
                   +1 :               0.00008200054857
                   +2 :               0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :              -0.00000487158575
                   +0 :               0.00003433741397
                   +1 :              -0.00002147941039
                   +2 :              -0.00000445427450
                4p
                   -1 :               0.00001771875092
                   +0 :              -0.00018033655188
                   +1 :              -0.00001954482637
             35 vec=   -10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :              -0.00002751834746
                3p
                   -1 :              -0.00005162706053
                   +0 :               0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :              -0.00028643931147
                5s
                   +0 :               0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :              -0.00005778624528
                   +0 :               0.00009567853838
                   +1 :               0.00008200054857
                   +2 :               0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :               0.00000487158575
                   +0 :               0.00003433741397
                   +1 :              -0.00002147941039
                   +2 :              -0.00000445427450
                4p
                   -1 :              -0.00001771875092
                   +0 :              -0.00018033655188
                   +1 :              -0.00001954482637
             36 vec=    10.719566    -10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :              -0.00005162706053
                   +0 :              -0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :               0.00008993494835
                   -1 :              -0.00005778624528
                   +0 :              -0.00009567853838
                   +1 :               0.00008200054857
                   +2 :              -0.00005959368799
                4d
                   -2 :               0.00000421906187
                   -1 :               0.00000487158575
                   +0 :              -0.00003433741397
                   +1 :              -0.00002147941039
                   +2 :               0.00000445427450
                4p
                   -1 :              -0.00001771875092
                   +0 :               0.00018033655188
                   +1 :              -0.00001954482637
             37 vec=    10.719566     10.719566     -7.951565   |vec|=   17.118574
                3s
                   +0 :               0.00002751834746
                3p
                   -1 :               0.00005162706053
                   +0 :              -0.00005014407229
                   +1 :               0.00001416803663
                4s
                   +0 :               0.00028643931147
                5s
                   +0 :              -0.00026284498672
                3d
                   -2 :              -0.00008993494835
                   -1 :               0.00005778624528
                   +0 :              -0.00009567853838
                   +1 :               0.00008200054857
                   +2 :              -0.00005959368799
                4d
                   -2 :              -0.00000421906187
                   -1 :              -0.00000487158575
                   +0 :              -0.00003433741397
                   +1 :              -0.00002147941039
                   +2 :               0.00000445427450
                4p
                   -1 :               0.00001771875092
                   +0 :               0.00018033655188
                   +1 :              -0.00001954482637
             38 vec=    -3.573189     -3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :               0.00001461872234
                   +0 :              -0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :              -0.00004272982252
                   +0 :              -0.00003710711488
                   +1 :              -0.00002775880446
                   +2 :              -0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :              -0.00000966681414
                   +0 :              -0.00000516799713
                   +1 :              -0.00000313788009
                   +2 :              -0.00000372104151
                4p
                   -1 :              -0.00003555957241
                   +0 :               0.00004703958297
                   +1 :              -0.00000092198055
             39 vec=    -3.573189      3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :              -0.00007021982805
                3p
                   -1 :              -0.00001461872234
                   +0 :              -0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :               0.00023423795727
                5s
                   +0 :              -0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :               0.00004272982252
                   +0 :              -0.00003710711488
                   +1 :              -0.00002775880446
                   +2 :              -0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :               0.00000966681414
                   +0 :              -0.00000516799713
                   +1 :              -0.00000313788009
                   +2 :              -0.00000372104151
                4p
                   -1 :               0.00003555957241
                   +0 :               0.00004703958297
                   +1 :              -0.00000092198055
             40 vec=     3.573189     -3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :              -0.00001461872234
                   +0 :               0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :               0.00002381311339
                   -1 :               0.00004272982252
                   +0 :               0.00003710711488
                   +1 :              -0.00002775880446
                   +2 :               0.00001710291709
                4d
                   -2 :               0.00000456422329
                   -1 :               0.00000966681414
                   +0 :               0.00000516799713
                   +1 :              -0.00000313788009
                   +2 :               0.00000372104151
                4p
                   -1 :               0.00003555957241
                   +0 :              -0.00004703958297
                   +1 :              -0.00000092198055
             41 vec=     3.573189      3.573189     17.084849   |vec|=   17.816493
                3s
                   +0 :               0.00007021982805
                3p
                   -1 :               0.00001461872234
                   +0 :               0.00002477516106
                   +1 :               0.00000113003252
                4s
                   +0 :              -0.00023423795727
                5s
                   +0 :               0.00002575971928
                3d
                   -2 :              -0.00002381311339
                   -1 :              -0.00004272982252
                   +0 :               0.00003710711488
                   +1 :              -0.00002775880446
                   +2 :               0.00001710291709
                4d
                   -2 :              -0.00000456422329
                   -1 :              -0.00000966681414
                   +0 :               0.00000516799713
                   +1 :              -0.00000313788009
                   +2 :               0.00000372104151
                4p
                   -1 :              -0.00003555957241
                   +0 :              -0.00004703958297
                   +1 :              -0.00000092198055
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site O (  4)  npairs=  34
              1 vec=     0.000000     -3.573189      4.566642   |vec|=    5.798439
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00620537697724
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00006630591043
                3d
                   -2 :               0.00003499719819
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00037776972759
                   +2 :              -0.00000000000000
              2 vec=     0.000000      3.573189      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00620537697724
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00006630591043
                3d
                   -2 :              -0.00003499719819
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00037776972759
                   +2 :               0.00000000000000
              3 vec=    -3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :              -0.00049131754124
                2s
                   +0 :               0.01543436570516
                3s
                   +0 :              -0.00375572504222
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.01496992927231
                   +1 :              -0.01275900596672
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00513878456585
                   +1 :               0.00649454124432
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00023349789824
                   +1 :              -0.00047605724739
                   +2 :              -0.00031532922889
              4 vec=     3.573189      0.000000     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00049131754124
                2s
                   +0 :              -0.01543436570516
                3s
                   +0 :               0.00375572504222
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.01496992927231
                   +1 :              -0.01275900596672
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00513878456585
                   +1 :               0.00649454124432
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00023349789824
                   +1 :              -0.00047605724739
                   +2 :               0.00031532922889
              5 vec=    -7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :              -0.00204196705217
                   +0 :              -0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :              -0.00045006021981
                   +0 :              -0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :               0.00015855343359
                   -1 :              -0.00022378565128
                   +0 :              -0.00023256497942
                   +1 :               0.00024147724960
                   +2 :               0.00005030750934
              6 vec=    -7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00017346219600
                2s
                   +0 :              -0.00535171883383
                3s
                   +0 :              -0.00011671453572
                2p
                   -1 :               0.00204196705217
                   +0 :              -0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :               0.00045006021981
                   +0 :              -0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :              -0.00015855343359
                   -1 :               0.00022378565128
                   +0 :              -0.00023256497942
                   +1 :               0.00024147724960
                   +2 :               0.00005030750934
              7 vec=     7.146377     -3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :               0.00204196705217
                   +0 :               0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :               0.00045006021981
                   +0 :               0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :               0.00015855343359
                   -1 :               0.00022378565128
                   +0 :               0.00023256497942
                   +1 :               0.00024147724960
                   +2 :              -0.00005030750934
              8 vec=     7.146377      3.573189      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00017346219600
                2s
                   +0 :               0.00535171883383
                3s
                   +0 :               0.00011671453572
                2p
                   -1 :              -0.00204196705217
                   +0 :               0.00113126291213
                   +1 :               0.00046418900201
                3p
                   -1 :              -0.00045006021981
                   +0 :               0.00070388959202
                   +1 :               0.00024388025439
                3d
                   -2 :              -0.00015855343359
                   -1 :              -0.00022378565128
                   +0 :               0.00023256497942
                   +1 :               0.00024147724960
                   +2 :              -0.00005030750934
              9 vec=    -3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :               0.00262526179364
                   +0 :               0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :              -0.00133232808187
                   +0 :               0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :              -0.00001976313620
                   -1 :              -0.00004224765630
                   +0 :              -0.00005356738861
                   +1 :              -0.00006123831790
                   +2 :               0.00000439015935
             10 vec=    -3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00028529156619
                2s
                   +0 :              -0.00224318303726
                3s
                   +0 :               0.00069266398379
                2p
                   -1 :              -0.00262526179364
                   +0 :               0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :               0.00133232808187
                   +0 :               0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :               0.00001976313620
                   -1 :               0.00004224765630
                   +0 :              -0.00005356738861
                   +1 :              -0.00006123831790
                   +2 :               0.00000439015935
             11 vec=     3.573189     -7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :              -0.00262526179364
                   +0 :              -0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :               0.00133232808187
                   +0 :              -0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :              -0.00001976313620
                   -1 :               0.00004224765630
                   +0 :               0.00005356738861
                   +1 :              -0.00006123831790
                   +2 :              -0.00000439015935
             12 vec=     3.573189      7.146377     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00028529156619
                2s
                   +0 :               0.00224318303726
                3s
                   +0 :              -0.00069266398379
                2p
                   -1 :               0.00262526179364
                   +0 :              -0.00040553962983
                   +1 :              -0.00039013415075
                3p
                   -1 :              -0.00133232808187
                   +0 :              -0.00016840829518
                   +1 :               0.00029951358684
                3d
                   -2 :               0.00001976313620
                   -1 :              -0.00004224765630
                   +0 :               0.00005356738861
                   +1 :              -0.00006123831790
                   +2 :              -0.00000439015935
             13 vec=     0.000000    -10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00137336590141
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00045283781187
                3d
                   -2 :              -0.00000059055594
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00009335496487
                   +2 :              -0.00000000000000
             14 vec=     0.000000     10.719566      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00137336590141
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00045283781187
                3d
                   -2 :               0.00000059055594
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00009335496487
                   +2 :               0.00000000000000
             15 vec=   -10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00004631380692
                2s
                   +0 :              -0.00149947513671
                3s
                   +0 :               0.00146603844224
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00250211773312
                   +1 :               0.00300613810221
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00235002135198
                   +1 :              -0.00265643390020
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00008841384282
                   +1 :               0.00045357245360
                   +2 :               0.00020196175292
             16 vec=    10.719566      0.000000     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00004631380692
                2s
                   +0 :               0.00149947513671
                3s
                   +0 :              -0.00146603844224
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00250211773312
                   +1 :               0.00300613810221
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00235002135198
                   +1 :              -0.00265643390020
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00008841384282
                   +1 :               0.00045357245360
                   +2 :              -0.00020196175292
             17 vec=    -7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :              -0.00012730230252
                   +0 :              -0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :               0.00027161907082
                   +0 :               0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :               0.00004069290485
                   -1 :              -0.00005239455742
                   +0 :              -0.00002164727194
                   +1 :              -0.00004055083662
                   +2 :              -0.00001623312766
             18 vec=    -7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00010135170160
                2s
                   +0 :               0.00065931149897
                3s
                   +0 :              -0.00023757395744
                2p
                   -1 :               0.00012730230252
                   +0 :              -0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :              -0.00027161907082
                   +0 :               0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :              -0.00004069290485
                   -1 :               0.00005239455742
                   +0 :              -0.00002164727194
                   +1 :              -0.00004055083662
                   +2 :              -0.00001623312766
             19 vec=     7.146377    -10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :               0.00012730230252
                   +0 :               0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :              -0.00027161907082
                   +0 :              -0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :               0.00004069290485
                   -1 :               0.00005239455742
                   +0 :               0.00002164727194
                   +1 :              -0.00004055083662
                   +2 :               0.00001623312766
             20 vec=     7.146377     10.719566      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00010135170160
                2s
                   +0 :              -0.00065931149897
                3s
                   +0 :               0.00023757395744
                2p
                   -1 :              -0.00012730230252
                   +0 :               0.00041411656765
                   +1 :               0.00052878219333
                3p
                   -1 :               0.00027161907082
                   +0 :              -0.00022232151057
                   +1 :              -0.00021584869456
                3d
                   -2 :              -0.00004069290485
                   -1 :              -0.00005239455742
                   +0 :               0.00002164727194
                   +1 :              -0.00004055083662
                   +2 :               0.00001623312766
             21 vec=   -10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :              -0.00053565094372
                   +0 :               0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :               0.00017463507581
                   +0 :              -0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :               0.00001920190065
                   -1 :               0.00000398453574
                   +0 :               0.00001256045053
                   +1 :               0.00005985846111
                   +2 :               0.00001965855691
             22 vec=   -10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00005060886626
                2s
                   +0 :               0.00018793230680
                3s
                   +0 :               0.00005628086994
                2p
                   -1 :               0.00053565094372
                   +0 :               0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :              -0.00017463507581
                   +0 :              -0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :              -0.00001920190065
                   -1 :              -0.00000398453574
                   +0 :               0.00001256045053
                   +1 :               0.00005985846111
                   +2 :               0.00001965855691
             23 vec=    10.719566     -7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :               0.00053565094372
                   +0 :              -0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :              -0.00017463507581
                   +0 :               0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :               0.00001920190065
                   -1 :              -0.00000398453574
                   +0 :              -0.00001256045053
                   +1 :               0.00005985846111
                   +2 :              -0.00001965855691
             24 vec=    10.719566      7.146377     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00005060886626
                2s
                   +0 :              -0.00018793230680
                3s
                   +0 :              -0.00005628086994
                2p
                   -1 :              -0.00053565094372
                   +0 :              -0.00049755459408
                   +1 :               0.00039853474869
                3p
                   -1 :               0.00017463507581
                   +0 :               0.00036600262495
                   +1 :              -0.00029695271574
                3d
                   -2 :              -0.00001920190065
                   -1 :               0.00000398453574
                   +0 :              -0.00001256045053
                   +1 :               0.00005985846111
                   +2 :              -0.00001965855691
             25 vec=   -14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :               0.00024239224460
                   +0 :              -0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :              -0.00002090461819
                   +0 :               0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :              -0.00000196109427
                   -1 :               0.00000311786539
                   +0 :               0.00002131352744
                   +1 :              -0.00003622466942
                   +2 :               0.00001680306033
             26 vec=   -14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00002402802465
                2s
                   +0 :              -0.00059218008945
                3s
                   +0 :               0.00017906622033
                2p
                   -1 :              -0.00024239224460
                   +0 :              -0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :               0.00002090461819
                   +0 :               0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :               0.00000196109427
                   -1 :              -0.00000311786539
                   +0 :               0.00002131352744
                   +1 :              -0.00003622466942
                   +2 :               0.00001680306033
             27 vec=    14.292755     -3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :              -0.00024239224460
                   +0 :               0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :               0.00002090461819
                   +0 :              -0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :              -0.00000196109427
                   -1 :              -0.00000311786539
                   +0 :              -0.00002131352744
                   +1 :              -0.00003622466942
                   +2 :              -0.00001680306033
             28 vec=    14.292755      3.573189      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00002402802465
                2s
                   +0 :               0.00059218008945
                3s
                   +0 :              -0.00017906622033
                2p
                   -1 :               0.00024239224460
                   +0 :               0.00050725286967
                   +1 :               0.00035903318304
                3p
                   -1 :              -0.00002090461819
                   +0 :              -0.00038334045778
                   +1 :              -0.00019469902196
                3d
                   -2 :               0.00000196109427
                   -1 :               0.00000311786539
                   +0 :              -0.00002131352744
                   +1 :              -0.00003622466942
                   +2 :              -0.00001680306033
             29 vec=    -3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :               0.00017733438523
                   +0 :              -0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :              -0.00011491072231
                   +0 :              -0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :               0.00000101880719
                   -1 :               0.00000179727916
                   +0 :               0.00000116988171
                   +1 :              -0.00000362974287
                   +2 :              -0.00000342350985
             30 vec=    -3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00001912834910
                2s
                   +0 :              -0.00010541389313
                3s
                   +0 :               0.00006479486953
                2p
                   -1 :              -0.00017733438523
                   +0 :              -0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :               0.00011491072231
                   +0 :              -0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :              -0.00000101880719
                   -1 :              -0.00000179727916
                   +0 :               0.00000116988171
                   +1 :              -0.00000362974287
                   +2 :              -0.00000342350985
             31 vec=     3.573189    -14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :              -0.00017733438523
                   +0 :               0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :               0.00011491072231
                   +0 :               0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :               0.00000101880719
                   -1 :              -0.00000179727916
                   +0 :              -0.00000116988171
                   +1 :              -0.00000362974287
                   +2 :               0.00000342350985
             32 vec=     3.573189     14.292755     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00001912834910
                2s
                   +0 :               0.00010541389313
                3s
                   +0 :              -0.00006479486953
                2p
                   -1 :               0.00017733438523
                   +0 :               0.00002564163173
                   +1 :              -0.00003292218734
                3p
                   -1 :              -0.00011491072231
                   +0 :               0.00000698889704
                   +1 :               0.00000579547566
                3d
                   -2 :              -0.00000101880719
                   -1 :               0.00000179727916
                   +0 :              -0.00000116988171
                   +1 :              -0.00000362974287
                   +2 :               0.00000342350985
             33 vec=    -3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00002850852446
                2s
                   +0 :              -0.00036362627643
                3s
                   +0 :               0.00014113516485
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00023663508609
                   +1 :              -0.00006645599236
                3p
                   +0 :               0.00011148625366
                   +1 :              -0.00003601807712
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000287101926
                   +1 :              -0.00000806752038
                   +2 :               0.00000199783724
             34 vec=     3.573189      0.000000     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00002850852446
                2s
                   +0 :               0.00036362627643
                3s
                   +0 :              -0.00014113516485
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00023663508609
                   +1 :              -0.00006645599236
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00011148625366
                   +1 :              -0.00003601807712
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00000287101926
                   +1 :              -0.00000806752038
                   +2 :              -0.00000199783724
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site O (  5)  npairs=  34
              1 vec=    -3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :               0.00093071058077
                2s
                   +0 :              -0.01701167207723
                3s
                   +0 :               0.00279896943208
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.01379435243312
                   +1 :               0.01373950483642
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00181694106225
                   +1 :              -0.00115494900623
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00114406835784
                   +1 :               0.00091390587105
                   +2 :              -0.00052865716028
              2 vec=     3.573189      0.000000      4.566642   |vec|=    5.798439
                1s
                   +0 :              -0.00093071058077
                2s
                   +0 :               0.01701167207723
                3s
                   +0 :              -0.00279896943208
                2p
                   -1 :               0.00000000000000
                   +0 :               0.01379435243312
                   +1 :               0.01373950483642
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00181694106225
                   +1 :              -0.00115494900623
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00114406835784
                   +1 :               0.00091390587105
                   +2 :               0.00052865716028
              3 vec=     0.000000     -3.573189     -7.951565   |vec|=    8.717515
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :               0.00357699209751
                3p
                   +0 :              -0.00000000000000
                   +1 :               0.00012931208798
                3d
                   -2 :               0.00000211070884
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004182238433
                   +2 :              -0.00000000000000
              4 vec=     0.000000      3.573189     -7.951565   |vec|=    8.717515
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.00357699209751
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00012931208798
                3d
                   -2 :              -0.00000211070884
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00004182238433
                   +2 :              -0.00000000000000
              5 vec=    -3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :               0.00796381283107
                   +0 :              -0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :              -0.00317502748974
                   +0 :               0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :               0.00012920790247
                   -1 :              -0.00026722615049
                   +0 :              -0.00016792428209
                   +1 :              -0.00014585919591
                   +2 :              -0.00004025115825
              6 vec=    -3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :               0.00053201410083
                2s
                   +0 :              -0.01376577593120
                3s
                   +0 :               0.00267572462476
                2p
                   -1 :              -0.00796381283107
                   +0 :              -0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :               0.00317502748974
                   +0 :               0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :              -0.00012920790247
                   -1 :               0.00026722615049
                   +0 :              -0.00016792428209
                   +1 :              -0.00014585919591
                   +2 :              -0.00004025115825
              7 vec=     3.573189     -7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :              -0.00796381283107
                   +0 :               0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :               0.00317502748974
                   +0 :              -0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :               0.00012920790247
                   -1 :               0.00026722615049
                   +0 :               0.00016792428209
                   +1 :              -0.00014585919591
                   +2 :               0.00004025115825
              8 vec=     3.573189      7.146377      4.566642   |vec|=    9.202859
                1s
                   +0 :              -0.00053201410083
                2s
                   +0 :               0.01376577593120
                3s
                   +0 :              -0.00267572462476
                2p
                   -1 :               0.00796381283107
                   +0 :               0.01281979065218
                   +1 :              -0.00225384527506
                3p
                   -1 :              -0.00317502748974
                   +0 :              -0.00445075411106
                   +1 :               0.00002653993704
                3d
                   -2 :              -0.00012920790247
                   -1 :              -0.00026722615049
                   +0 :               0.00016792428209
                   +1 :              -0.00014585919591
                   +2 :               0.00004025115825
              9 vec=    -7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :              -0.00076807959615
                   +0 :               0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :               0.00015879148776
                   +0 :              -0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :              -0.00006976186312
                   -1 :              -0.00002710564846
                   +0 :              -0.00008138307079
                   +1 :              -0.00012495331439
                   +2 :              -0.00010710113360
             10 vec=    -7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :               0.00023518754564
                2s
                   +0 :              -0.00191039243386
                3s
                   +0 :               0.00094282273669
                2p
                   -1 :               0.00076807959615
                   +0 :               0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :              -0.00015879148776
                   +0 :              -0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :               0.00006976186312
                   -1 :               0.00002710564846
                   +0 :              -0.00008138307079
                   +1 :              -0.00012495331439
                   +2 :              -0.00010710113360
             11 vec=     7.146377     -3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :               0.00076807959615
                   +0 :              -0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :              -0.00015879148776
                   +0 :               0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :              -0.00006976186312
                   -1 :               0.00002710564846
                   +0 :               0.00008138307079
                   +1 :              -0.00012495331439
                   +2 :               0.00010710113360
             12 vec=     7.146377      3.573189     -7.951565   |vec|=   11.272346
                1s
                   +0 :              -0.00023518754564
                2s
                   +0 :               0.00191039243386
                3s
                   +0 :              -0.00094282273669
                2p
                   -1 :              -0.00076807959615
                   +0 :              -0.00047641393621
                   +1 :               0.00043911761345
                3p
                   -1 :               0.00015879148776
                   +0 :               0.00004638965332
                   +1 :              -0.00067058081861
                3d
                   -2 :               0.00006976186312
                   -1 :              -0.00002710564846
                   +0 :               0.00008138307079
                   +1 :              -0.00012495331439
                   +2 :               0.00010710113360
             13 vec=   -10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :               0.00011672688634
                2s
                   +0 :              -0.00112071275944
                3s
                   +0 :               0.00017188173409
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00004331150449
                   +1 :               0.00235957554586
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00016098126458
                   +1 :              -0.00070211656570
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00004408155268
                   +1 :              -0.00002919245033
                   +2 :              -0.00000063250030
             14 vec=    10.719566      0.000000      4.566642   |vec|=   11.651751
                1s
                   +0 :              -0.00011672688634
                2s
                   +0 :               0.00112071275944
                3s
                   +0 :              -0.00017188173409
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00004331150449
                   +1 :               0.00235957554586
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00016098126458
                   +1 :              -0.00070211656570
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00004408155268
                   +1 :              -0.00002919245033
                   +2 :               0.00000063250030
             15 vec=    -0.000000    -10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00026520618869
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00011866445553
                3d
                   -2 :              -0.00000540664290
                   -1 :              -0.00000000000000
                   +1 :               0.00000162387991
                   +2 :               0.00000000000000
             16 vec=     0.000000     10.719566     -7.951565   |vec|=   13.346778
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00026520618869
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00011866445553
                3d
                   -2 :               0.00000540664290
                   -1 :               0.00000000000000
                   +1 :               0.00000162387991
                   +2 :               0.00000000000000
             17 vec=   -10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :               0.00033979474408
                   +0 :              -0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :              -0.00017646046578
                   +0 :               0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :               0.00000826834008
                   -1 :              -0.00001077973966
                   +0 :               0.00001887715854
                   +1 :              -0.00000736901790
                   +2 :              -0.00001932751174
             18 vec=   -10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :              -0.00015134404475
                2s
                   +0 :               0.00116376945765
                3s
                   +0 :              -0.00038717704818
                2p
                   -1 :              -0.00033979474408
                   +0 :              -0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :               0.00017646046578
                   +0 :               0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :              -0.00000826834008
                   -1 :               0.00001077973966
                   +0 :               0.00001887715854
                   +1 :              -0.00000736901790
                   +2 :              -0.00001932751174
             19 vec=    10.719566     -7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :              -0.00033979474408
                   +0 :               0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :               0.00017646046578
                   +0 :              -0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :               0.00000826834008
                   -1 :               0.00001077973966
                   +0 :              -0.00001887715854
                   +1 :              -0.00000736901790
                   +2 :               0.00001932751174
             20 vec=    10.719566      7.146377      4.566642   |vec|=   13.668724
                1s
                   +0 :               0.00015134404475
                2s
                   +0 :              -0.00116376945765
                3s
                   +0 :               0.00038717704818
                2p
                   -1 :               0.00033979474408
                   +0 :               0.00034348541980
                   +1 :              -0.00060167319198
                3p
                   -1 :              -0.00017646046578
                   +0 :              -0.00010998601363
                   +1 :               0.00040092903908
                3d
                   -2 :              -0.00000826834008
                   -1 :              -0.00001077973966
                   +0 :              -0.00001887715854
                   +1 :              -0.00000736901790
                   +2 :               0.00001932751174
             21 vec=    -7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :               0.00040695879192
                   +0 :               0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :              -0.00010223816293
                   +0 :              -0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :              -0.00000076369417
                   -1 :               0.00001377500994
                   +0 :               0.00000432867283
                   +1 :              -0.00000438440998
                   +2 :              -0.00001844808369
             22 vec=    -7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :               0.00003079572418
                2s
                   +0 :              -0.00048228606119
                3s
                   +0 :               0.00012573828385
                2p
                   -1 :              -0.00040695879192
                   +0 :               0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :               0.00010223816293
                   +0 :              -0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :               0.00000076369417
                   -1 :              -0.00001377500994
                   +0 :               0.00000432867283
                   +1 :              -0.00000438440998
                   +2 :              -0.00001844808369
             23 vec=     7.146377    -10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :              -0.00040695879192
                   +0 :              -0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :               0.00010223816293
                   +0 :               0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :              -0.00000076369417
                   -1 :              -0.00001377500994
                   +0 :              -0.00000432867283
                   +1 :              -0.00000438440998
                   +2 :               0.00001844808369
             24 vec=     7.146377     10.719566     -7.951565   |vec|=   15.139590
                1s
                   +0 :              -0.00003079572418
                2s
                   +0 :               0.00048228606119
                3s
                   +0 :              -0.00012573828385
                2p
                   -1 :               0.00040695879192
                   +0 :              -0.00044975539209
                   +1 :               0.00011808261436
                3p
                   -1 :              -0.00010223816293
                   +0 :               0.00019320312622
                   +1 :              -0.00008167062565
                3d
                   -2 :               0.00000076369417
                   -1 :               0.00001377500994
                   +0 :              -0.00000432867283
                   +1 :              -0.00000438440998
                   +2 :               0.00001844808369
             25 vec=    -3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :              -0.00012957843139
                   +0 :              -0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :               0.00015870897434
                   +0 :               0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :               0.00001085160594
                   -1 :               0.00001069365051
                   +0 :               0.00002450514332
                   +1 :              -0.00000286685734
                   +2 :               0.00001702155660
             26 vec=    -3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :              -0.00000723081700
                2s
                   +0 :               0.00004740884956
                3s
                   +0 :              -0.00004461010031
                2p
                   -1 :               0.00012957843139
                   +0 :              -0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :              -0.00015870897434
                   +0 :               0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :              -0.00001085160594
                   -1 :              -0.00001069365051
                   +0 :               0.00002450514332
                   +1 :              -0.00000286685734
                   +2 :               0.00001702155660
             27 vec=     3.573189    -14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :               0.00012957843139
                   +0 :               0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :              -0.00015870897434
                   +0 :              -0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :               0.00001085160594
                   -1 :              -0.00001069365051
                   +0 :              -0.00002450514332
                   +1 :              -0.00000286685734
                   +2 :              -0.00001702155660
             28 vec=     3.573189     14.292755      4.566642   |vec|=   15.424161
                1s
                   +0 :               0.00000723081700
                2s
                   +0 :              -0.00004740884956
                3s
                   +0 :               0.00004461010031
                2p
                   -1 :              -0.00012957843139
                   +0 :               0.00030117194110
                   +1 :              -0.00010319352726
                3p
                   -1 :               0.00015870897434
                   +0 :              -0.00000613549132
                   +1 :               0.00001899752362
                3d
                   -2 :              -0.00001085160594
                   -1 :               0.00001069365051
                   +0 :              -0.00002450514332
                   +1 :              -0.00000286685734
                   +2 :              -0.00001702155660
             29 vec=   -14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :               0.00008861802738
                   +0 :               0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :              -0.00003455919217
                   +0 :              -0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :               0.00002226969539
                   -1 :               0.00002119981831
                   +0 :              -0.00002317475300
                   +1 :               0.00001589972659
                   +2 :               0.00000944760039
             30 vec=   -14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :              -0.00004175228572
                2s
                   +0 :               0.00009205355892
                3s
                   +0 :              -0.00012890233257
                2p
                   -1 :              -0.00008861802738
                   +0 :               0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :               0.00003455919217
                   +0 :              -0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :              -0.00002226969539
                   -1 :              -0.00002119981831
                   +0 :              -0.00002317475300
                   +1 :               0.00001589972659
                   +2 :               0.00000944760039
             31 vec=    14.292755     -3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :              -0.00008861802738
                   +0 :              -0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :               0.00003455919217
                   +0 :               0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :               0.00002226969539
                   -1 :              -0.00002119981831
                   +0 :               0.00002317475300
                   +1 :               0.00001589972659
                   +2 :              -0.00000944760039
             32 vec=    14.292755      3.573189     -7.951565   |vec|=   16.741502
                1s
                   +0 :               0.00004175228572
                2s
                   +0 :              -0.00009205355892
                3s
                   +0 :               0.00012890233257
                2p
                   -1 :               0.00008861802738
                   +0 :              -0.00029503719517
                   +1 :              -0.00012881218488
                3p
                   -1 :              -0.00003455919217
                   +0 :               0.00014853165678
                   +1 :               0.00019544511755
                3d
                   -2 :              -0.00002226969539
                   -1 :               0.00002119981831
                   +0 :               0.00002317475300
                   +1 :               0.00001589972659
                   +2 :              -0.00000944760039
             33 vec=     0.000000     -3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00013997638516
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00007336307871
                3d
                   -2 :              -0.00000038355124
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000136238916
                   +2 :               0.00000000000000
             34 vec=     0.000000      3.573189     17.084849   |vec|=   17.454505
                1s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00013997638516
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00007336307871
                3d
                   -2 :               0.00000038355124
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000136238916
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site O (  6)  npairs=  34
              1 vec=    -3.573189     -3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :               0.01811629011008
                   +0 :               0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :              -0.00270198006745
                   +0 :               0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :              -0.00037089460229
                   -1 :              -0.00068165824141
                   +0 :               0.00107417192705
                   +1 :              -0.00054333311496
                   +2 :               0.00050762793104
              2 vec=    -3.573189      3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :               0.00012657995973
                2s
                   +0 :              -0.00764652636124
                3s
                   +0 :               0.00156925740882
                2p
                   -1 :              -0.01811629011008
                   +0 :               0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :               0.00270198006745
                   +0 :               0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :               0.00037089460229
                   -1 :               0.00068165824141
                   +0 :               0.00107417192705
                   +1 :              -0.00054333311496
                   +2 :               0.00050762793104
              3 vec=     3.573189     -3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :              -0.01811629011008
                   +0 :              -0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :               0.00270198006745
                   +0 :              -0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :              -0.00037089460229
                   -1 :               0.00068165824141
                   +0 :              -0.00107417192705
                   +1 :              -0.00054333311496
                   +2 :              -0.00050762793104
              4 vec=     3.573189      3.573189     -3.384923   |vec|=    6.082192
                1s
                   +0 :              -0.00012657995973
                2s
                   +0 :               0.00764652636124
                3s
                   +0 :              -0.00156925740882
                2p
                   -1 :               0.01811629011008
                   +0 :              -0.00357213104008
                   +1 :               0.00799003029242
                3p
                   -1 :              -0.00270198006745
                   +0 :              -0.00182636760781
                   +1 :              -0.00142303629377
                3d
                   -2 :               0.00037089460229
                   -1 :              -0.00068165824141
                   +0 :              -0.00107417192705
                   +1 :              -0.00054333311496
                   +2 :              -0.00050762793104
              5 vec=     0.000000      0.000000      9.133284   |vec|=    9.133284
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :              -0.00152548743043
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00030703512699
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +1 :              -0.00016541369879
                   +2 :              -0.00000000000000
              6 vec=    -7.146377      0.000000      9.133284   |vec|=   11.596878
                1s
                   +0 :               0.00013524117811
                2s
                   +0 :              -0.00235468339529
                3s
                   +0 :               0.00036743013505
                2p
                   +0 :              -0.00316421371140
                   +1 :               0.00124792683851
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00044523642921
                   +1 :              -0.00012866755442
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00006977404356
                   +1 :               0.00007968510605
                   +2 :               0.00001028314716
              7 vec=     0.000000     -7.146377      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00164850909627
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00021388529016
                3d
                   -2 :              -0.00004020416405
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00006691002967
                   +2 :               0.00000000000000
              8 vec=     0.000000      7.146377      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00164850909627
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00021388529016
                3d
                   -2 :               0.00004020416405
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00006691002967
                   +2 :               0.00000000000000
              9 vec=     7.146377      0.000000      9.133284   |vec|=   11.596878
                1s
                   +0 :              -0.00013524117811
                2s
                   +0 :               0.00235468339529
                3s
                   +0 :              -0.00036743013505
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00316421371140
                   +1 :               0.00124792683851
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00044523642921
                   +1 :              -0.00012866755442
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00006977404356
                   +1 :               0.00007968510605
                   +2 :              -0.00001028314716
             10 vec=   -10.719566     -3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :              -0.00001597874089
                   +0 :              -0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :              -0.00008183457000
                   +0 :               0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :              -0.00002801986389
                   -1 :              -0.00000157924434
                   +0 :              -0.00001520011499
                   +1 :              -0.00003883995336
                   +2 :              -0.00007135955994
             11 vec=   -10.719566      3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00004810202165
                2s
                   +0 :               0.00027172535896
                3s
                   +0 :              -0.00033791178781
                2p
                   -1 :               0.00001597874089
                   +0 :              -0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :               0.00008183457000
                   +0 :               0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :               0.00002801986389
                   -1 :               0.00000157924434
                   +0 :              -0.00001520011499
                   +1 :              -0.00003883995336
                   +2 :              -0.00007135955994
             12 vec=    -3.573189    -10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :               0.00002855816832
                   +0 :               0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :               0.00010496229748
                   +0 :              -0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :              -0.00004527118398
                   -1 :              -0.00002001787709
                   +0 :               0.00004286822457
                   +1 :               0.00001649414875
                   +2 :              -0.00001474668708
             13 vec=    -3.573189     10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00001128917982
                2s
                   +0 :              -0.00006424759727
                3s
                   +0 :               0.00017789045964
                2p
                   -1 :              -0.00002855816832
                   +0 :               0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :              -0.00010496229748
                   +0 :              -0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :               0.00004527118398
                   -1 :               0.00002001787709
                   +0 :               0.00004286822457
                   +1 :               0.00001649414875
                   +2 :              -0.00001474668708
             14 vec=     3.573189    -10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :              -0.00002855816832
                   +0 :              -0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :              -0.00010496229748
                   +0 :               0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :              -0.00004527118398
                   -1 :               0.00002001787709
                   +0 :              -0.00004286822457
                   +1 :               0.00001649414875
                   +2 :               0.00001474668708
             15 vec=     3.573189     10.719566     -3.384923   |vec|=   11.795528
                1s
                   +0 :              -0.00001128917982
                2s
                   +0 :               0.00006424759727
                3s
                   +0 :              -0.00017789045964
                2p
                   -1 :               0.00002855816832
                   +0 :              -0.00033514341966
                   +1 :              -0.00061983435528
                3p
                   -1 :               0.00010496229748
                   +0 :               0.00014258442106
                   +1 :               0.00014073472774
                3d
                   -2 :               0.00004527118398
                   -1 :              -0.00002001787709
                   +0 :              -0.00004286822457
                   +1 :               0.00001649414875
                   +2 :               0.00001474668708
             16 vec=    10.719566     -3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :               0.00001597874089
                   +0 :               0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :               0.00008183457000
                   +0 :              -0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :              -0.00002801986389
                   -1 :               0.00000157924434
                   +0 :               0.00001520011499
                   +1 :              -0.00003883995336
                   +2 :               0.00007135955994
             17 vec=    10.719566      3.573189     -3.384923   |vec|=   11.795528
                1s
                   +0 :               0.00004810202165
                2s
                   +0 :              -0.00027172535896
                3s
                   +0 :               0.00033791178781
                2p
                   -1 :              -0.00001597874089
                   +0 :               0.00041253166531
                   +1 :              -0.00000261573091
                3p
                   -1 :              -0.00008183457000
                   +0 :              -0.00039306021235
                   +1 :               0.00014269631755
                3d
                   -2 :               0.00002801986389
                   -1 :              -0.00000157924434
                   +0 :               0.00001520011499
                   +1 :              -0.00003883995336
                   +2 :               0.00007135955994
             18 vec=    -7.146377     -7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :               0.00059397648294
                   +0 :               0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :              -0.00016503106517
                   +0 :              -0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :               0.00000842569363
                   -1 :              -0.00001416093278
                   +0 :              -0.00005023603258
                   +1 :               0.00001969138335
                   +2 :              -0.00000692114096
             19 vec=    -7.146377      7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :              -0.00002331768776
                2s
                   +0 :              -0.00000716364256
                3s
                   +0 :              -0.00012575299992
                2p
                   -1 :              -0.00059397648294
                   +0 :               0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :               0.00016503106517
                   +0 :              -0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :              -0.00000842569363
                   -1 :               0.00001416093278
                   +0 :              -0.00005023603258
                   +1 :               0.00001969138335
                   +2 :              -0.00000692114096
             20 vec=     7.146377     -7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :              -0.00059397648294
                   +0 :              -0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :               0.00016503106517
                   +0 :               0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :               0.00000842569363
                   -1 :               0.00001416093278
                   +0 :               0.00005023603258
                   +1 :               0.00001969138335
                   +2 :               0.00000692114096
             21 vec=     7.146377      7.146377      9.133284   |vec|=   13.621978
                1s
                   +0 :               0.00002331768776
                2s
                   +0 :               0.00000716364256
                3s
                   +0 :               0.00012575299992
                2p
                   -1 :               0.00059397648294
                   +0 :              -0.00051035003439
                   +1 :               0.00087893598658
                3p
                   -1 :              -0.00016503106517
                   +0 :               0.00057533830049
                   +1 :              -0.00014226198411
                3d
                   -2 :              -0.00000842569363
                   -1 :              -0.00001416093278
                   +0 :               0.00005023603258
                   +1 :               0.00001969138335
                   +2 :               0.00000692114096
             22 vec=   -10.719566    -10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :               0.00155904118862
                   +0 :              -0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :              -0.00026035405424
                   +0 :               0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :               0.00000003444014
                   -1 :              -0.00005653466864
                   +0 :               0.00003083282364
                   +1 :              -0.00004989160637
                   +2 :              -0.00002539720311
             23 vec=   -10.719566     10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :               0.00004399173773
                2s
                   +0 :              -0.00123842018319
                3s
                   +0 :               0.00016912602040
                2p
                   -1 :              -0.00155904118862
                   +0 :              -0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :               0.00026035405424
                   +0 :               0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :              -0.00000003444014
                   -1 :               0.00005653466864
                   +0 :               0.00003083282364
                   +1 :              -0.00004989160637
                   +2 :              -0.00002539720311
             24 vec=    10.719566    -10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :              -0.00155904118862
                   +0 :               0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :               0.00026035405424
                   +0 :              -0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :               0.00000003444014
                   -1 :               0.00005653466864
                   +0 :              -0.00003083282364
                   +1 :              -0.00004989160637
                   +2 :               0.00002539720311
             25 vec=    10.719566     10.719566     -3.384923   |vec|=   15.533058
                1s
                   +0 :              -0.00004399173773
                2s
                   +0 :               0.00123842018319
                3s
                   +0 :              -0.00016912602040
                2p
                   -1 :               0.00155904118862
                   +0 :               0.00015512320633
                   +1 :               0.00166251769264
                3p
                   -1 :              -0.00026035405424
                   +0 :              -0.00020997387855
                   +1 :              -0.00031867387322
                3d
                   -2 :              -0.00000003444014
                   -1 :              -0.00005653466864
                   +0 :              -0.00003083282364
                   +1 :              -0.00004989160637
                   +2 :               0.00002539720311
             26 vec=     0.000000      0.000000    -15.903130   |vec|=   15.903130
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   +0 :               0.00000000000000
                   +1 :              -0.00106519553694
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00074130063029
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +1 :              -0.00009736124028
                   +2 :               0.00000000000000
             27 vec=   -14.292755      0.000000      9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00001537867931
                2s
                   +0 :              -0.00031188733239
                3s
                   +0 :               0.00013753572505
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00010479689033
                   +1 :               0.00020229960862
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00011920441852
                   +1 :              -0.00018831952725
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00001023954382
                   +1 :              -0.00001449886128
                   +2 :               0.00002256792892
             28 vec=     0.000000    -14.292755      9.133284   |vec|=   16.961713
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00061111239304
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00009993218954
                3d
                   -2 :               0.00003764000960
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00001476652743
                   +2 :               0.00000000000000
             29 vec=     0.000000     14.292755      9.133284   |vec|=   16.961713
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00061111239304
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00009993218954
                3d
                   -2 :              -0.00003764000960
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00001476652743
                   +2 :               0.00000000000000
             30 vec=    14.292755      0.000000      9.133284   |vec|=   16.961713
                1s
                   +0 :              -0.00001537867931
                2s
                   +0 :               0.00031188733239
                3s
                   +0 :              -0.00013753572505
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00010479689033
                   +1 :               0.00020229960862
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00011920441852
                   +1 :              -0.00018831952725
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00001023954382
                   +1 :              -0.00001449886128
                   +2 :              -0.00002256792892
             31 vec=    -7.146377      0.000000    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00001577595854
                2s
                   +0 :              -0.00009763106442
                3s
                   +0 :               0.00017294139498
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00018096369276
                   +1 :               0.00052680594657
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00022341053703
                   +1 :               0.00001660310129
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00003236264553
                   +1 :              -0.00004112425818
                   +2 :               0.00000142720711
             32 vec=     0.000000     -7.146377    -15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00005363173041
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00007029984125
                3d
                   -2 :               0.00000988481964
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00002164135707
                   +2 :              -0.00000000000000
             33 vec=     0.000000      7.146377    -15.903130   |vec|=   17.435030
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00005363173041
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00007029984125
                3d
                   -2 :              -0.00000988481964
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00002164135707
                   +2 :               0.00000000000000
             34 vec=     7.146377      0.000000    -15.903130   |vec|=   17.435030
                1s
                   +0 :              -0.00001577595854
                2s
                   +0 :               0.00009763106442
                3s
                   +0 :              -0.00017294139498
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00018096369276
                   +1 :               0.00052680594657
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00022341053703
                   +1 :               0.00001660310129
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00003236264553
                   +1 :              -0.00004112425818
                   +2 :              -0.00000142720711
WF             site_B          number of pairs
WF( 17)=[O 2p1]  to site O (  7)  npairs=  45
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00000000000000
                   +1 :               0.90226630595163
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.08473496410683
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00397415257071
                   +2 :               0.00000000000000
              2 vec=    -7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :               0.00007419262405
                2s
                   +0 :              -0.00151270210835
                3s
                   +0 :               0.00125461950399
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00444214756564
                   +1 :               0.00976655341709
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00063388193839
                   +1 :              -0.00088364248672
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00031565276228
                   +1 :               0.00009493102395
                   +2 :              -0.00072904545160
              3 vec=     0.000000     -7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00138153115105
                3p
                   -1 :               0.00000000000000
                   +1 :              -0.00078726834708
                3d
                   -2 :              -0.00020680682663
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00008046800739
                   +2 :               0.00000000000000
              4 vec=     0.000000      7.146377      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00138153115105
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00078726834708
                3d
                   -2 :               0.00020680682663
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00008046800739
                   +2 :              -0.00000000000000
              5 vec=     7.146377      0.000000      0.000000   |vec|=    7.146377
                1s
                   +0 :              -0.00007419262405
                2s
                   +0 :               0.00151270210835
                3s
                   +0 :              -0.00125461950399
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00444214756564
                   +1 :               0.00976655341709
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00063388193839
                   +1 :              -0.00088364248672
                3d
                   -2 :               0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00031565276228
                   +1 :               0.00009493102395
                   +2 :               0.00072904545160
              6 vec=    -7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :               0.00648259033969
                   +0 :               0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :              -0.00072231956070
                   +0 :              -0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :              -0.00023523258788
                   -1 :              -0.00016349850541
                   +0 :               0.00005887903441
                   +1 :              -0.00019601782366
                   +2 :               0.00001039905780
              7 vec=    -7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :               0.00032892028640
                2s
                   +0 :              -0.01364649841526
                3s
                   +0 :               0.00060086111035
                2p
                   -1 :              -0.00648259033969
                   +0 :               0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :               0.00072231956070
                   +0 :              -0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :               0.00023523258788
                   -1 :               0.00016349850541
                   +0 :               0.00005887903441
                   +1 :              -0.00019601782366
                   +2 :               0.00001039905780
              8 vec=     7.146377     -7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :              -0.00648259033969
                   +0 :              -0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :               0.00072231956070
                   +0 :               0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :              -0.00023523258788
                   -1 :               0.00016349850541
                   +0 :              -0.00005887903441
                   +1 :              -0.00019601782366
                   +2 :              -0.00001039905780
              9 vec=     7.146377      7.146377      0.000000   |vec|=   10.106504
                1s
                   +0 :              -0.00032892028640
                2s
                   +0 :               0.01364649841526
                3s
                   +0 :              -0.00060086111035
                2p
                   -1 :               0.00648259033969
                   +0 :              -0.00544086303785
                   +1 :               0.01051735081055
                3p
                   -1 :              -0.00072231956070
                   +0 :               0.00105560627792
                   +1 :              -0.00199604659696
                3d
                   -2 :               0.00023523258788
                   -1 :              -0.00016349850541
                   +0 :              -0.00005887903441
                   +1 :              -0.00019601782366
                   +2 :              -0.00001039905780
             10 vec=    -3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :              -0.00007162606989
                   +0 :               0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :              -0.00028421488656
                   +0 :              -0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :               0.00002546242918
                   -1 :               0.00004134941765
                   +0 :               0.00006945916030
                   +1 :              -0.00002734330251
                   +2 :              -0.00004959419741
             11 vec=    -3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :              -0.00027592359569
                   +0 :               0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :              -0.00003711007244
                   +0 :              -0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :               0.00000314170501
                   -1 :              -0.00002784826793
                   +0 :              -0.00003962074189
                   +1 :              -0.00001502115464
                   +2 :              -0.00001073569750
             12 vec=    -3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00006889395826
                2s
                   +0 :              -0.00065370304037
                3s
                   +0 :               0.00049016444786
                2p
                   -1 :               0.00007162606989
                   +0 :               0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :               0.00028421488656
                   +0 :              -0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :              -0.00002546242918
                   -1 :              -0.00004134941765
                   +0 :               0.00006945916030
                   +1 :              -0.00002734330251
                   +2 :              -0.00004959419741
             13 vec=    -3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00003303394118
                2s
                   +0 :               0.00056574159586
                3s
                   +0 :              -0.00019576984745
                2p
                   -1 :               0.00027592359569
                   +0 :               0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :               0.00003711007244
                   +0 :              -0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :              -0.00000314170501
                   -1 :               0.00002784826793
                   +0 :              -0.00003962074189
                   +1 :              -0.00001502115464
                   +2 :              -0.00001073569750
             14 vec=     3.573189     -3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :               0.00007162606989
                   +0 :              -0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :               0.00028421488656
                   +0 :               0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :               0.00002546242918
                   -1 :              -0.00004134941765
                   +0 :              -0.00006945916030
                   +1 :              -0.00002734330251
                   +2 :               0.00004959419741
             15 vec=     3.573189     -3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :               0.00027592359569
                   +0 :              -0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :               0.00003711007244
                   +0 :               0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :               0.00000314170501
                   -1 :               0.00002784826793
                   +0 :               0.00003962074189
                   +1 :              -0.00001502115464
                   +2 :               0.00001073569750
             16 vec=     3.573189      3.573189    -12.518207   |vec|=   13.499662
                1s
                   +0 :              -0.00006889395826
                2s
                   +0 :               0.00065370304037
                3s
                   +0 :              -0.00049016444786
                2p
                   -1 :              -0.00007162606989
                   +0 :              -0.00074096460973
                   +1 :              -0.00020221057540
                3p
                   -1 :              -0.00028421488656
                   +0 :               0.00077767587223
                   +1 :               0.00004481843573
                3d
                   -2 :              -0.00002546242918
                   -1 :               0.00004134941765
                   +0 :              -0.00006945916030
                   +1 :              -0.00002734330251
                   +2 :               0.00004959419741
             17 vec=     3.573189      3.573189     12.518207   |vec|=   13.499662
                1s
                   +0 :               0.00003303394118
                2s
                   +0 :              -0.00056574159586
                3s
                   +0 :               0.00019576984745
                2p
                   -1 :              -0.00027592359569
                   +0 :              -0.00050472712685
                   +1 :              -0.00025098695817
                3p
                   -1 :              -0.00003711007244
                   +0 :               0.00026579634234
                   +1 :               0.00003704096161
                3d
                   -2 :              -0.00000314170501
                   -1 :              -0.00002784826793
                   +0 :               0.00003962074189
                   +1 :              -0.00001502115464
                   +2 :               0.00001073569750
             18 vec=   -14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :               0.00001369271442
                2s
                   +0 :              -0.00043293321145
                3s
                   +0 :               0.00026193778737
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00041140668504
                   +1 :               0.00039811659605
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.00020233260250
                   +1 :              -0.00031483759056
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :              -0.00005468256601
                   +1 :               0.00005042764449
                   +2 :               0.00001589300229
             19 vec=     0.000000    -14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00035503737660
                3p
                   -1 :               0.00000000000000
                   +1 :               0.00039304152709
                3d
                   -2 :              -0.00008566132040
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003000610029
                   +2 :               0.00000000000000
             20 vec=     0.000000     14.292755      0.000000   |vec|=   14.292755
                2p
                   -1 :              -0.00000000000000
                   +1 :              -0.00035503737660
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00039304152709
                3d
                   -2 :               0.00008566132040
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :              -0.00003000610029
                   +2 :              -0.00000000000000
             21 vec=    14.292755      0.000000      0.000000   |vec|=   14.292755
                1s
                   +0 :              -0.00001369271442
                2s
                   +0 :               0.00043293321145
                3s
                   +0 :              -0.00026193778737
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00041140668504
                   +1 :               0.00039811659605
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00020233260250
                   +1 :              -0.00031483759056
                3d
                   -1 :              -0.00000000000000
                   +0 :               0.00005468256601
                   +1 :               0.00005042764449
                   +2 :              -0.00001589300229
             22 vec=   -14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :               0.00048727220771
                   +0 :               0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :              -0.00027242560586
                   +0 :              -0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :               0.00002938296902
                   -1 :               0.00001860455789
                   +0 :              -0.00001039338595
                   +1 :               0.00002728329166
                   +2 :              -0.00000343606807
             23 vec=   -14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00001420879492
                2s
                   +0 :              -0.00042138318117
                3s
                   +0 :               0.00009855700957
                2p
                   -1 :              -0.00048727220771
                   +0 :               0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :               0.00027242560586
                   +0 :              -0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :              -0.00002938296902
                   -1 :              -0.00001860455789
                   +0 :              -0.00001039338595
                   +1 :               0.00002728329166
                   +2 :              -0.00000343606807
             24 vec=    -7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :               0.00025528798472
                   +0 :              -0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :               0.00017227333145
                   +0 :               0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :              -0.00002389997054
                   -1 :              -0.00001040226004
                   +0 :               0.00002801667949
                   +1 :              -0.00001568154299
                   +2 :               0.00006469158067
             25 vec=    -7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :               0.00000315021475
                2s
                   +0 :              -0.00018925930860
                3s
                   +0 :              -0.00003414314452
                2p
                   -1 :              -0.00025528798472
                   +0 :              -0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :              -0.00017227333145
                   +0 :               0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :               0.00002389997054
                   -1 :               0.00001040226004
                   +0 :               0.00002801667949
                   +1 :              -0.00001568154299
                   +2 :               0.00006469158067
             26 vec=     7.146377    -14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :              -0.00025528798472
                   +0 :               0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :              -0.00017227333145
                   +0 :              -0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :              -0.00002389997054
                   -1 :               0.00001040226004
                   +0 :              -0.00002801667949
                   +1 :              -0.00001568154299
                   +2 :              -0.00006469158067
             27 vec=     7.146377     14.292755      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00000315021475
                2s
                   +0 :               0.00018925930860
                3s
                   +0 :               0.00003414314452
                2p
                   -1 :               0.00025528798472
                   +0 :               0.00006049749291
                   +1 :               0.00018085808973
                3p
                   -1 :               0.00017227333145
                   +0 :              -0.00000809294570
                   +1 :               0.00003192303859
                3d
                   -2 :               0.00002389997054
                   -1 :              -0.00001040226004
                   +0 :              -0.00002801667949
                   +1 :              -0.00001568154299
                   +2 :              -0.00006469158067
             28 vec=    14.292755     -7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :              -0.00048727220771
                   +0 :              -0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :               0.00027242560586
                   +0 :               0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :               0.00002938296902
                   -1 :              -0.00001860455789
                   +0 :               0.00001039338595
                   +1 :               0.00002728329166
                   +2 :               0.00000343606807
             29 vec=    14.292755      7.146377      0.000000   |vec|=   15.979785
                1s
                   +0 :              -0.00001420879492
                2s
                   +0 :               0.00042138318117
                3s
                   +0 :              -0.00009855700957
                2p
                   -1 :               0.00048727220771
                   +0 :              -0.00007375270104
                   +1 :               0.00037336279378
                3p
                   -1 :              -0.00027242560586
                   +0 :               0.00012347067216
                   +1 :              -0.00002283965498
                3d
                   -2 :              -0.00002938296902
                   -1 :               0.00001860455789
                   +0 :               0.00001039338595
                   +1 :               0.00002728329166
                   +2 :               0.00000343606807
             30 vec=   -10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :              -0.00042423564598
                   +0 :              -0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :              -0.00003611997011
                   +0 :               0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :               0.00002610034519
                   -1 :              -0.00000215066171
                   +0 :              -0.00003722792544
                   +1 :               0.00000625708337
                   +2 :              -0.00002229812126
             31 vec=   -10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :               0.00003311059095
                   +0 :              -0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :              -0.00002511000576
                   +0 :               0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :              -0.00000256209413
                   -1 :              -0.00000013040529
                   +0 :               0.00001833555859
                   +1 :               0.00001133924429
                   +2 :              -0.00000348228634
             32 vec=   -10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001521131061
                2s
                   +0 :               0.00012682657133
                3s
                   +0 :              -0.00000826396500
                2p
                   -1 :               0.00042423564598
                   +0 :              -0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :               0.00003611997011
                   +0 :               0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :              -0.00002610034519
                   -1 :               0.00000215066171
                   +0 :              -0.00003722792544
                   +1 :               0.00000625708337
                   +2 :              -0.00002229812126
             33 vec=   -10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00003297902615
                2s
                   +0 :              -0.00031907985888
                3s
                   +0 :               0.00016243897217
                2p
                   -1 :              -0.00003311059095
                   +0 :              -0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :               0.00002511000576
                   +0 :               0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :               0.00000256209413
                   -1 :               0.00000013040529
                   +0 :               0.00001833555859
                   +1 :               0.00001133924429
                   +2 :              -0.00000348228634
             34 vec=    -3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :               0.00014831784661
                   +0 :               0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :              -0.00016614673294
                   +0 :              -0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :               0.00000844116857
                   -1 :               0.00000538258756
                   +0 :              -0.00001621405999
                   +1 :               0.00000419272992
                   +2 :              -0.00000288750342
             35 vec=    -3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :              -0.00037812147524
                   +0 :              -0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :              -0.00011023482821
                   +0 :              -0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :               0.00000318255968
                   -1 :              -0.00005158102906
                   +0 :              -0.00003212931727
                   +1 :              -0.00000253166835
                   +2 :              -0.00000441920668
             36 vec=    -3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001825354574
                2s
                   +0 :              -0.00028232609650
                3s
                   +0 :               0.00015625998543
                2p
                   -1 :              -0.00014831784661
                   +0 :               0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :               0.00016614673294
                   +0 :              -0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :              -0.00000844116857
                   -1 :              -0.00000538258756
                   +0 :              -0.00001621405999
                   +1 :               0.00000419272992
                   +2 :              -0.00000288750342
             37 vec=    -3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00000790144940
                2s
                   +0 :               0.00005431148838
                3s
                   +0 :              -0.00010076250239
                2p
                   -1 :               0.00037812147524
                   +0 :              -0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :               0.00011023482821
                   +0 :              -0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :              -0.00000318255968
                   -1 :               0.00005158102906
                   +0 :              -0.00003212931727
                   +1 :              -0.00000253166835
                   +2 :              -0.00000441920668
             38 vec=     3.573189    -10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :              -0.00014831784661
                   +0 :              -0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :               0.00016614673294
                   +0 :               0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :               0.00000844116857
                   -1 :              -0.00000538258756
                   +0 :               0.00001621405999
                   +1 :               0.00000419272992
                   +2 :               0.00000288750342
             39 vec=     3.573189    -10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :               0.00037812147524
                   +0 :               0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :               0.00011023482821
                   +0 :               0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :               0.00000318255968
                   -1 :               0.00005158102906
                   +0 :               0.00003212931727
                   +1 :              -0.00000253166835
                   +2 :               0.00000441920668
             40 vec=     3.573189     10.719566    -12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00001825354574
                2s
                   +0 :               0.00028232609650
                3s
                   +0 :              -0.00015625998543
                2p
                   -1 :               0.00014831784661
                   +0 :              -0.00029758532844
                   +1 :              -0.00003536181576
                3p
                   -1 :              -0.00016614673294
                   +0 :               0.00007565796920
                   +1 :              -0.00002907855145
                3d
                   -2 :              -0.00000844116857
                   -1 :               0.00000538258756
                   +0 :               0.00001621405999
                   +1 :               0.00000419272992
                   +2 :               0.00000288750342
             41 vec=     3.573189     10.719566     12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00000790144940
                2s
                   +0 :              -0.00005431148838
                3s
                   +0 :               0.00010076250239
                2p
                   -1 :              -0.00037812147524
                   +0 :               0.00008219193452
                   +1 :              -0.00004841337623
                3p
                   -1 :              -0.00011023482821
                   +0 :               0.00021351748028
                   +1 :              -0.00002242539819
                3d
                   -2 :              -0.00000318255968
                   -1 :              -0.00005158102906
                   +0 :               0.00003212931727
                   +1 :              -0.00000253166835
                   +2 :               0.00000441920668
             42 vec=    10.719566     -3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :               0.00042423564598
                   +0 :               0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :               0.00003611997011
                   +0 :              -0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :               0.00002610034519
                   -1 :               0.00000215066171
                   +0 :               0.00003722792544
                   +1 :               0.00000625708337
                   +2 :               0.00002229812126
             43 vec=    10.719566     -3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :              -0.00003311059095
                   +0 :               0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :               0.00002511000576
                   +0 :              -0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :              -0.00000256209413
                   -1 :               0.00000013040529
                   +0 :              -0.00001833555859
                   +1 :               0.00001133924429
                   +2 :               0.00000348228634
             44 vec=    10.719566      3.573189    -12.518207   |vec|=   16.863638
                1s
                   +0 :               0.00001521131061
                2s
                   +0 :              -0.00012682657133
                3s
                   +0 :               0.00000826396500
                2p
                   -1 :              -0.00042423564598
                   +0 :               0.00014512399297
                   +1 :               0.00007397207618
                3p
                   -1 :              -0.00003611997011
                   +0 :              -0.00028779162208
                   +1 :              -0.00012753260211
                3d
                   -2 :              -0.00002610034519
                   -1 :              -0.00000215066171
                   +0 :               0.00003722792544
                   +1 :               0.00000625708337
                   +2 :               0.00002229812126
             45 vec=    10.719566      3.573189     12.518207   |vec|=   16.863638
                1s
                   +0 :              -0.00003297902615
                2s
                   +0 :               0.00031907985888
                3s
                   +0 :              -0.00016243897217
                2p
                   -1 :               0.00003311059095
                   +0 :               0.00046093431275
                   +1 :              -0.00016536701349
                3p
                   -1 :              -0.00002511000576
                   +0 :              -0.00024684614379
                   +1 :               0.00008450970209
                3d
                   -2 :               0.00000256209413
                   -1 :              -0.00000013040529
                   +0 :              -0.00001833555859
                   +1 :               0.00001133924429
                   +2 :               0.00000348228634
