210 significant shell pairs computed in 0.000109 seconds
0
Computed Electron repulsion integrals Integrals in parallel in 3.528810 seconds

 ******************************************************************************************
 *            QuAcK                       QuAcK                         QuAcK             *
 *   __        __        __       __        __        __       __        __        __     *
 * <(o )___  <(o )___  <(o )___ <(o )___  <(o )___  <(o )___ <(o )___  <(o )___  <(o )___ *
 * ( ._> /   ( ._> /   ( ._> /  ( ._> /   ( ._> /   ( ._> /  ( ._> /   ( ._> /   ( ._> /  *
 *|--------------------------------------------------------------------------------------|*
 ******************************************************************************************

      ----------------------
             Number of atoms                2
      ----------------------

      ----------------------
Number of spin-up   electron                1
Number of spin-down electron                1
    Total number of electron                2
      ----------------------

      ----------------------
Number of core      electron                0
Number of Rydberg   electron                0
      ----------------------

          ------------------
          Molecular geometry
          ------------------
                    Atom n.                 1
                        Z =      1.0000000000
           Atom coordinates:     0.0000000000    0.0000000000    0.0000000000
                    Atom n.                 2
                        Z =      1.0000000000
           Atom coordinates:     0.0000000000    0.0000000000    5.3857194576

          ------------------
 Nuclear repulsion energy =      0.1856762143
          ------------------

          Gaussian basis set
          ------------------
                    Atom n.                 1
           number of shells                10
          ------------------
      s-type shell with K =                 6
                                    Exponents     Contraction
                                82.6400000000    0.0020060000
                                12.4100000000    0.0153430000
                                 2.8240000000    0.0755790000
                                 0.7977000000    0.2568750000
                                 0.2581000000    0.4973680000
                                 0.0898900000    0.2961330000
      s-type shell with K =                 1
                                    Exponents     Contraction
                                 0.7977000000    1.0000000000
      s-type shell with K =                 1
                                    Exponents     Contraction
                                 0.2581000000    1.0000000000
      s-type shell with K =                 1
                                    Exponents     Contraction
                                 0.0898900000    1.0000000000
      p-type shell with K =                 1
                                    Exponents     Contraction
                                 2.2920000000    1.0000000000
      p-type shell with K =                 1
                                    Exponents     Contraction
                                 0.8380000000    1.0000000000
      p-type shell with K =                 1
                                    Exponents     Contraction
                                 0.2920000000    1.0000000000
      d-type shell with K =                 1
                                    Exponents     Contraction
                                 2.0620000000    1.0000000000
      d-type shell with K =                 1
                                    Exponents     Contraction
                                 0.6620000000    1.0000000000
      f-type shell with K =                 1
                                    Exponents     Contraction
                                 1.3970000000    1.0000000000
          ------------------
                    Atom n.                 2
           number of shells                10
          ------------------
      s-type shell with K =                 6
                                    Exponents     Contraction
                                82.6400000000    0.0020060000
                                12.4100000000    0.0153430000
                                 2.8240000000    0.0755790000
                                 0.7977000000    0.2568750000
                                 0.2581000000    0.4973680000
                                 0.0898900000    0.2961330000
      s-type shell with K =                 1
                                    Exponents     Contraction
                                 0.7977000000    1.0000000000
      s-type shell with K =                 1
                                    Exponents     Contraction
                                 0.2581000000    1.0000000000
      s-type shell with K =                 1
                                    Exponents     Contraction
                                 0.0898900000    1.0000000000
      p-type shell with K =                 1
                                    Exponents     Contraction
                                 2.2920000000    1.0000000000
      p-type shell with K =                 1
                                    Exponents     Contraction
                                 0.8380000000    1.0000000000
      p-type shell with K =                 1
                                    Exponents     Contraction
                                 0.2920000000    1.0000000000
      d-type shell with K =                 1
                                    Exponents     Contraction
                                 2.0620000000    1.0000000000
      d-type shell with K =                 1
                                    Exponents     Contraction
                                 0.6620000000    1.0000000000
      f-type shell with K =                 1
                                    Exponents     Contraction
                                 1.3970000000    1.0000000000
          ------------------
            Number of shells               20
          ------------------

          ------------------
   Number of basis functions               70
          ------------------

 Scaling integrals by    1.0000000000000000     

                          Total CPU time for reading integrals =      1.070 seconds


  Lowdin orthogonalization


 ************************************************
 *    Unrestricted Hartree-Fock calculation     *
 ************************************************


 ----------------------------------------------------------
 |   # |           E(UHF) |          Ex(UHF) |       Conv |
 ----------------------------------------------------------
 |   1 |    -0.8269074931 |    -0.4110251921 |   1.000000 |
 |   2 |    -0.8768640922 |    -0.4088503539 |   0.067895 |
 |   3 |    -0.9414674020 |    -0.4873704520 |   0.075506 |
 |   4 |    -0.9860592683 |    -0.5638649163 |   0.041965 |
 |   5 |    -0.9977046821 |    -0.5995732150 |   0.016734 |
 |   6 |    -0.9997474436 |    -0.6139665692 |   0.006334 |
 |   7 |    -1.0000746619 |    -0.6198499360 |   0.002503 |
 |   8 |    -1.0001267147 |    -0.6222850576 |   0.001058 |
 |   9 |    -1.0001350777 |    -0.6232947221 |   0.000442 |
 |  10 |    -1.0001364355 |    -0.6237124136 |   0.000184 |
 |  11 |    -1.0001366576 |    -0.6238846943 |   0.000076 |
 |  12 |    -1.0001366941 |    -0.6239555616 |   0.000031 |
 |  13 |    -1.0001367002 |    -0.6239846485 |   0.000013 |
 |  14 |    -1.0001367012 |    -0.6239965664 |   0.000005 |
 |  15 |    -1.0001367013 |    -0.6240014430 |   0.000002 |
 |  16 |    -1.0001367014 |    -0.6240034364 |   0.000001 |
 |  17 |    -1.0001367014 |    -0.6240042506 |   0.000000 |
 |  18 |    -1.0001367014 |    -0.6240045829 |   0.000000 |
 |  19 |    -1.0001367014 |    -0.6240047185 |   0.000000 |
 ----------------------------------------------------------

           -------------------------------------------------
                   Summary              
           -------------------------------------------------
                One-electron    energy:     -1.3718619965 au
                One-electron a  energy:     -0.6859309983 au
                One-electron b  energy:     -0.6859309983 au
                Kinetic         energy:      0.9977503177 au
                Kinetic      a  energy:      0.4988751589 au
                Kinetic      b  energy:      0.4988751589 au
                Potential       energy:     -2.3696123142 au
                Potential    a  energy:     -1.1848061571 au
                Potential    b  energy:     -1.1848061571 au
           -------------------------------------------------
                Two-electron    energy:      0.1860490809 au
                Two-electron aa energy:     -0.0000000000 au
                Two-electron ab energy:      0.1860490809 au
                Two-electron bb energy:     -0.0000000000 au
                Hartree         energy:      0.8100537994 au
                Hartree      aa energy:      0.3120023592 au
                Hartree      ab energy:      0.1860490809 au
                Hartree      bb energy:      0.3120023592 au
                Exchange        energy:     -0.6240047185 au
                Exchange     a  energy:     -0.3120023592 au
                Exchange     b  energy:     -0.3120023592 au
           -------------------------------------------------
                Electronic      energy:     -1.1858129156 au
                Nuclear      repulsion:      0.1856762143 au
                UHF             energy:     -1.0001367014 au
           -------------------------------------------------
                   UHF HOMO a    energy:       -13.602480 eV
                   UHF LUMO a    energy:         1.331096 eV
                   UHF HOMOa-LUMOa  gap:        14.933576 eV
           -------------------------------------------------
                   UHF HOMO b    energy:       -13.602480 eV
                   UHF LUMO b    energy:         1.331096 eV
                   UHF HOMOb-LUMOb gap :        14.933576 eV
           -------------------------------------------------
                    S (exact)          :         1.000000
                    S                  :         2.228817
                   <S**2> (exact)      :         0.000000
                   <S**2>              :         0.991906
           -------------------------------------------------
                    Dipole moment (Debye)    
                            X         Y         Z      Tot.
                     0.000000 -0.000000  0.000000  0.000000
           -------------------------------------------------

         -----------------------------------------
               UHF spin-up   orbital coefficients 
         -----------------------------------------
                 1              2              3              4              5
      1    -0.01689510     0.73093831    -0.06188508     0.01687669     0.16681617
      2     0.00173078     0.02036815     0.00577645    -0.37683173     0.05820021
      3     0.00654785    -0.77565905     0.02838535     3.11169121    -0.37708995
      4     0.00154778     0.87910918    -0.29483878    -1.94646913     0.19326526
      5     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
      6     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
      7    -0.00002147    -0.00297938    -0.03219675     0.05886795    -0.43672597
      8     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
      9     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     10    -0.00057891     0.01076458     0.12431815    -0.21400751     1.59426841
     11     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     12     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     13    -0.00104198    -0.00497487    -0.06144343     0.10866021    -0.85814440
     14    -0.00013710     0.00878016    -0.00154452    -0.02612459     0.00059836
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     17    -0.00013710     0.00878016    -0.00154452    -0.02612459     0.00059836
     18     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     19    -0.00003833     0.00883204     0.00373664    -0.02655366     0.00747150
     20    -0.00006398     0.07846881     0.01220948    -0.33880316     0.05920762
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     23    -0.00006398     0.07846881     0.01220948    -0.33880316     0.05920762
     24     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     25    -0.00079076     0.07819594    -0.01001704    -0.33651034     0.02604083
     26     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     27     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     28     0.00011638    -0.00194420    -0.02025839     0.03842178    -0.28327573
     29     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     32     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     33     0.00011638    -0.00194420    -0.02025839     0.03842178    -0.28327573
     34     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     35     0.00009601    -0.00437086    -0.04797949     0.08603173    -0.63672210
     36    -1.00962339    -0.09406164     0.09218916    -0.01956312     0.13331976
     37     0.00501054     0.00602503     0.25220034    -0.00071252     0.04853735
     38     0.00714991    -0.08690575    -2.68159059    -0.03410309    -0.23949540
     39     0.00238607    -0.01359693     2.10511760     0.27571927     0.01365427
     40     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     41     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     42     0.00036566    -0.00486001     0.05344934    -0.02836999     0.52463594
     43     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     44     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     45    -0.00132481     0.01262717    -0.19213385     0.11266382    -1.89675679
     46     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     47     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     48     0.00061716    -0.01755018     0.10525728    -0.04569781     1.10701422
     49    -0.00071566     0.00055554     0.02422551     0.00156678     0.00011872
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     52    -0.00071566     0.00055554     0.02422551     0.00156678     0.00011872
     53     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     54    -0.00069498     0.00176523     0.02473030    -0.00453146     0.00538145
     55    -0.00081552     0.01166735     0.28453248    -0.01439092     0.04386957
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     58    -0.00081552     0.01166735     0.28453248    -0.01439092     0.04386957
     59     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     60    -0.00091054     0.00764434     0.28163491     0.01194831     0.01772624
     61     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     62     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     63     0.00023649    -0.00306979     0.03474569    -0.01762255     0.33954415
     64     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     67     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     68     0.00023649    -0.00306979     0.03474569    -0.01762255     0.33954415
     69     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     70     0.00054079    -0.00635856     0.07787351    -0.04267056     0.76198965
                 6              7              8              9             10
      1     0.00000000     0.00000000     0.00000000     0.00000000     0.07064628
      2     0.00000000     0.00000000     0.00000000     0.00000000     0.10318346
      3     0.00000000     0.00000000     0.00000000     0.00000000    -0.71202066
      4     0.00000000     0.00000000     0.00000000     0.00000000     0.61686367
      5     0.12361664     0.24378673    -0.05289492     0.74354782     0.00000000
      6    -0.24378673     0.12361664     0.74354782     0.05289492     0.00000000
      7     0.00000000     0.00000000     0.00000000     0.00000000     0.60246776
      8    -0.45047296    -0.88838631     0.19264141    -2.70797444     0.00000000
      9     0.88838631    -0.45047296    -2.70797444    -0.19264141     0.00000000
     10     0.00000000     0.00000000     0.00000000     0.00000000    -2.19145348
     11     0.22380520     0.44137051    -0.10416217     1.46421525     0.00000000
     12    -0.44137051     0.22380520     1.46421525     0.10416217     0.00000000
     13     0.00000000     0.00000000     0.00000000     0.00000000     1.31204001
     14     0.00000000     0.00000000     0.00000000     0.00000000     0.00077440
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16    -0.00090397    -0.00178273    -0.00005124     0.00072035     0.00000000
     17     0.00000000     0.00000000     0.00000000     0.00000000     0.00077440
     18     0.00178273    -0.00090397     0.00072035     0.00005124     0.00000000
     19     0.00000000     0.00000000     0.00000000     0.00000000     0.01001475
     20     0.00000000     0.00000000     0.00000000     0.00000000     0.08657054
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00397755     0.00784419     0.00022911    -0.00322064     0.00000000
     23     0.00000000     0.00000000     0.00000000     0.00000000     0.08657054
     24    -0.00784419     0.00397755    -0.00322064    -0.00022911     0.00000000
     25     0.00000000     0.00000000     0.00000000     0.00000000     0.04076309
     26     0.18088024     0.35671737    -0.07712281     1.08412095     0.00000000
     27    -0.15952886     0.08089210     0.48483363     0.03449037     0.00000000
     28     0.00000000     0.00000000     0.00000000     0.00000000     0.39167967
     29     0.08089210     0.15952886    -0.03449037     0.48483363     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.08126797     0.16027011    -0.03447010     0.48454876     0.00000000
     32    -0.35671737     0.18088024     1.08412095     0.07712281     0.00000000
     33     0.00000000     0.00000000     0.00000000     0.00000000     0.39167967
     34    -0.16027011     0.08126797     0.48454876     0.03447010     0.00000000
     35     0.00000000     0.00000000     0.00000000     0.00000000     0.87268192
     36     0.00000000     0.00000000     0.00000000     0.00000000    -0.11813760
     37     0.00000000     0.00000000     0.00000000     0.00000000    -0.11534061
     38     0.00000000     0.00000000     0.00000000     0.00000000     0.77311976
     39     0.00000000     0.00000000     0.00000000     0.00000000    -0.62185042
     40     0.31577773     0.62275128     0.01492677    -0.20982664     0.00000000
     41    -0.62275128     0.31577773    -0.20982664    -0.01492677     0.00000000
     42     0.00000000     0.00000000     0.00000000     0.00000000     0.42885504
     43    -1.14017610    -2.24856302    -0.05371493     0.75507467     0.00000000
     44     2.24856302    -1.14017610     0.75507467     0.05371493     0.00000000
     45     0.00000000     0.00000000     0.00000000     0.00000000    -1.53888569
     46     0.64083638     1.26380564     0.03403656    -0.47845444     0.00000000
     47    -1.26380564     0.64083638    -0.47845444    -0.03403656     0.00000000
     48     0.00000000     0.00000000     0.00000000     0.00000000     1.03010702
     49     0.00000000     0.00000000     0.00000000     0.00000000    -0.00039352
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51     0.00031694     0.00062505    -0.00016219     0.00227987     0.00000000
     52     0.00000000     0.00000000     0.00000000     0.00000000    -0.00039352
     53    -0.00062505     0.00031694     0.00227987     0.00016219     0.00000000
     54     0.00000000     0.00000000     0.00000000     0.00000000    -0.01248145
     55     0.00000000     0.00000000     0.00000000     0.00000000    -0.10248649
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57    -0.00143124    -0.00282258     0.00074390    -0.01045699     0.00000000
     58     0.00000000     0.00000000     0.00000000     0.00000000    -0.10248649
     59     0.00282258    -0.00143124    -0.01045699    -0.00074390     0.00000000
     60     0.00000000     0.00000000     0.00000000     0.00000000    -0.04056853
     61     0.45972593     0.90663428     0.02161191    -0.30380024     0.00000000
     62    -0.40545918     0.20559569    -0.13586360    -0.00966514     0.00000000
     63     0.00000000     0.00000000     0.00000000     0.00000000     0.27814487
     64     0.20559569     0.40545918     0.00966514    -0.13586360     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66     0.20573204     0.40572809     0.00959873    -0.13493010     0.00000000
     67    -0.90663428     0.45972593    -0.30380024    -0.02161191     0.00000000
     68     0.00000000     0.00000000     0.00000000     0.00000000     0.27814487
     69    -0.40572809     0.20573204    -0.13493010    -0.00959873     0.00000000
     70     0.00000000     0.00000000     0.00000000     0.00000000     0.61754463
                11             12             13             14             15
      1    -1.03542338    -2.81220947     0.00000000     0.00000000    -0.21148870
      2    -0.39821610    -1.22887089     0.00000000     0.00000000    -0.08166610
      3     2.22443761     6.34931354     0.00000000     0.00000000     0.42265491
      4    -0.05962571    -0.65884462     0.00000000     0.00000000     0.06276406
      5     0.00000000     0.00000000    -0.38996944     0.65108162     0.00000000
      6     0.00000000     0.00000000     0.65108162     0.38996944     0.00000000
      7     0.01786205     0.00517643     0.00000000     0.00000000    -0.93804580
      8     0.00000000     0.00000000     1.46935563    -2.45319334     0.00000000
      9     0.00000000     0.00000000    -2.45319334    -1.46935563     0.00000000
     10    -0.07680796    -0.01691128     0.00000000     0.00000000     3.56171443
     11     0.00000000     0.00000000    -0.25078398     0.41870163     0.00000000
     12     0.00000000     0.00000000     0.41870163     0.25078398     0.00000000
     13    -0.00750387    -0.04742653     0.00000000     0.00000000    -0.53396307
     14    -0.01783918    -0.06003374     0.00000000     0.00000000    -0.02673077
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00000000     0.00705183    -0.01177353     0.00000000
     17    -0.01783918    -0.06003374     0.00000000     0.00000000    -0.02673077
     18     0.00000000     0.00000000    -0.01177353    -0.00705183     0.00000000
     19    -0.03323580    -0.05657634     0.00000000     0.00000000     0.03785289
     20    -0.36737508    -0.93887780     0.00000000     0.00000000     0.07514691
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00000000     0.00000000    -0.04404554     0.07353715     0.00000000
     23    -0.36737508    -0.93887780     0.00000000     0.00000000     0.07514691
     24     0.00000000     0.00000000     0.07353715     0.04404554     0.00000000
     25    -0.28981084    -0.95631706     0.00000000     0.00000000    -0.33969627
     26     0.00000000     0.00000000    -0.57695375     0.96326517     0.00000000
     27     0.00000000     0.00000000     0.43078528     0.25802156     0.00000000
     28     0.00943500     0.00513655     0.00000000     0.00000000    -0.61650185
     29     0.00000000     0.00000000    -0.25802156     0.43078528     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.00000000     0.00000000    -0.25903263     0.43247333     0.00000000
     32     0.00000000     0.00000000     0.96326517     0.57695375     0.00000000
     33     0.00943500     0.00513655     0.00000000     0.00000000    -0.61650185
     34     0.00000000     0.00000000     0.43247333     0.25903263     0.00000000
     35     0.02808755     0.00926116     0.00000000     0.00000000    -1.38796783
     36    -2.73933551     0.96170759     0.00000000     0.00000000    -0.11603442
     37    -1.22626989     0.48426282     0.00000000     0.00000000    -0.11959910
     38     6.40401493    -2.33907846     0.00000000     0.00000000     0.39767916
     39    -0.67558196     0.40269033     0.00000000     0.00000000    -0.08884599
     40     0.00000000     0.00000000    -1.07915706     1.80172919     0.00000000
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                16             17             18             19             20
      1     0.00000000     0.00000000     0.11142736     0.00000000     0.00000000
      2     0.00000000     0.00000000    -0.14981961     0.00000000     0.00000000
      3     0.00000000     0.00000000     0.11652244     0.00000000     0.00000000
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      5     0.32504019    -2.10319253     0.00000000     0.00000000     0.00000000
      6    -2.10319253    -0.32504019     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000    -1.71381700     0.00000000     0.00000000
      8    -1.22824189     7.94741460     0.00000000     0.00000000     0.00000000
      9     7.94741460     1.22824189     0.00000000     0.00000000     0.00000000
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     18    -0.00675623    -0.00104415     0.00000000     0.00000000     0.00000000
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     22    -0.00677781     0.04385621     0.00000000     0.00000000     0.00000000
     23     0.00000000     0.00000000    -0.12317375     0.01052381     0.00001758
     24     0.04385621     0.00677781     0.00000000     0.00000000     0.00000000
     25     0.00000000     0.00000000     0.28833404     0.00000000     0.00000000
     26     0.47978751    -3.10449455     0.00000000     0.00000000     0.00000000
     27    -1.38837217    -0.21456750     0.00000000     0.00000000     0.00000000
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     29     0.21456750    -1.38837217     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000003    -0.00001987
     31     0.21444749    -1.38759565     0.00000000     0.00000000     0.00000000
     32    -3.10449455    -0.47978751     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000    -1.13362504     0.00001721     0.00000003
     34    -1.38759565    -0.21444749     0.00000000     0.00000000     0.00000000
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     36     0.00000000     0.00000000    -0.16792442     0.00000000     0.00000000
     37     0.00000000     0.00000000     0.06683740     0.00000000     0.00000000
     38     0.00000000     0.00000000     0.08810558     0.00000000     0.00000000
     39     0.00000000     0.00000000     0.20892274     0.00000000     0.00000000
     40    -0.12026381     0.77817437     0.00000000     0.00000000     0.00000000
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     42     0.00000000     0.00000000    -1.09414189     0.00000000     0.00000000
     43     0.45793601    -2.96310308     0.00000000     0.00000000     0.00000000
     44    -2.96310308    -0.45793601     0.00000000     0.00000000     0.00000000
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     46    -0.09304592     0.60205937     0.00000000     0.00000000     0.00000000
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     48     0.00000000     0.00000000    -0.91616787     0.00000000     0.00000000
     49     0.00000000     0.00000000    -0.04786711     0.12724620     0.00021251
     50     0.00000000     0.00000000     0.00000000    -0.00024538     0.14693126
     51     0.00354181    -0.02291750     0.00000000     0.00000000     0.00000000
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     53    -0.02291750    -0.00354181     0.00000000     0.00000000     0.00000000
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     57    -0.02390338     0.15466831     0.00000000     0.00000000     0.00000000
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     61    -0.17738545     1.14778346     0.00000000     0.00000000     0.00000000
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     64    -0.07932919     0.51330437     0.00000000     0.00000000     0.00000000
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     66    -0.07900995     0.51123875     0.00000000     0.00000000     0.00000000
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                21             22             23             24             25
      1     0.00000000     0.00000000    -0.12916514     0.00000000     0.00000000
      2     0.00000000     0.00000000     0.12157052     0.00000000     0.00000000
      3     0.00000000     0.00000000     0.10456982     0.00000000     0.00000000
      4     0.00000000     0.00000000     0.01730123     0.00000000     0.00000000
      5    -0.30153681     0.12728024     0.00000000     0.00000000     0.00000000
      6    -0.12728024    -0.30153681     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000    -0.71042373     0.00000000     0.00000000
      8     1.15259797    -0.48651753     0.00000000     0.00000000     0.00000000
      9     0.48651753     1.15259797     0.00000000     0.00000000     0.00000000
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     15     0.00000000     0.00000000     0.00000000     0.00010513     0.15023023
     16    -0.02688323     0.01134755     0.00000000     0.00000000     0.00000000
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     18    -0.01134755    -0.02688323     0.00000000     0.00000000     0.00000000
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     21     0.00000000     0.00000000     0.00000000    -0.00075601    -1.08031126
     22     0.18814747    -0.07941802     0.00000000     0.00000000     0.00000000
     23     0.00000000     0.00000000    -0.40760891     0.93557700    -0.00065472
     24     0.07941802     0.18814747     0.00000000     0.00000000     0.00000000
     25     0.00000000     0.00000000     0.68890987     0.00000000     0.00000000
     26    -0.44107337     0.18617934     0.00000000     0.00000000     0.00000000
     27    -0.08326193    -0.19725401     0.00000000     0.00000000     0.00000000
     28     0.00000000     0.00000000    -0.46475343     0.00001644    -0.00000001
     29    -0.19725401     0.08326193     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000001     0.00001899
     31    -0.19692410     0.08312267     0.00000000     0.00000000     0.00000000
     32    -0.18617934    -0.44107337     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000    -0.46475343    -0.00001644     0.00000001
     34    -0.08312267    -0.19692410     0.00000000     0.00000000     0.00000000
     35     0.00000000     0.00000000    -1.03897454     0.00000000     0.00000000
     36     0.00000000     0.00000000    -0.17961595     0.00000000     0.00000000
     37     0.00000000     0.00000000     0.13102903     0.00000000     0.00000000
     38     0.00000000     0.00000000     0.13894499     0.00000000     0.00000000
     39     0.00000000     0.00000000     0.09298324     0.00000000     0.00000000
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     41     0.00287962     0.00682204     0.00000000     0.00000000     0.00000000
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     43    -0.02521945     0.01064526     0.00000000     0.00000000     0.00000000
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     47     0.00269699     0.00638938     0.00000000     0.00000000     0.00000000
     48     0.00000000     0.00000000     0.20047147     0.00000000     0.00000000
     49     0.00000000     0.00000000     0.03574326    -0.00139112     0.00000097
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     53     0.05541988     0.13129401     0.00000000     0.00000000     0.00000000
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     59    -0.40749318    -0.96538313     0.00000000     0.00000000     0.00000000
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     62     0.00195251     0.00462564     0.00000000     0.00000000     0.00000000
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     65     0.00000000     0.00000000     0.00000000     0.00000001     0.00002110
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     67     0.00436594     0.01034324     0.00000000     0.00000000     0.00000000
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                26             27             28             29             30
      1     0.00000000     0.00000000    -0.11186225    -0.57730819    -1.65330721
      2     0.00000000     0.00000000     0.05699723     0.16487846     0.21299964
      3     0.00000000     0.00000000     0.36265545     1.83740712     5.69900481
      4     0.00000000     0.00000000    -0.27044975    -0.06514348    -0.51195122
      5     0.08937895    -0.00472519     0.00000000     0.00000000     0.00000000
      6     0.00472519     0.08937895     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000    -1.06049724    -0.10225602     0.04508855
      8    -0.34223881     0.01809312     0.00000000     0.00000000     0.00000000
      9    -0.01809312    -0.34223881     0.00000000     0.00000000     0.00000000
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     11     0.07401125    -0.00391275     0.00000000     0.00000000     0.00000000
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     14     0.00000000     0.00000000    -0.05187734    -0.04437579    -0.11411966
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     18    -0.00773452    -0.14630161     0.00000000     0.00000000     0.00000000
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     20     0.00000000     0.00000000     0.27301250    -0.56203759    -1.79313233
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     1.05494139    -0.05577153     0.00000000     0.00000000     0.00000000
     23     0.00000000     0.00000000     0.27301250    -0.56203759    -1.79313233
     24     0.05577153     1.05494139     0.00000000     0.00000000     0.00000000
     25     0.00000000     0.00000000    -0.75663576    -0.68666071    -1.73872103
     26     0.13065110    -0.00690712     0.00000000     0.00000000     0.00000000
     27     0.00308896     0.05842895     0.00000000     0.00000000     0.00000000
     28     0.00000000     0.00000000    -0.69341019    -0.07435534     0.03294468
     29     0.05842895    -0.00308896     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.05806599    -0.00306977     0.00000000     0.00000000     0.00000000
     32     0.00690712     0.13065110     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000    -0.69341019    -0.07435534     0.03294468
     34     0.00306977     0.05806599     0.00000000     0.00000000     0.00000000
     35     0.00000000     0.00000000    -1.53812802    -0.14654676     0.06361591
     36     0.00000000     0.00000000     0.14745133    -1.62865163     0.62761063
     37     0.00000000     0.00000000    -0.07341021     0.20056892     0.00904694
     38     0.00000000     0.00000000    -0.43047664     5.62626776    -2.33526949
     39     0.00000000     0.00000000     0.26894392    -0.45706105     0.29221059
     40    -0.20145831     0.01065049     0.00000000     0.00000000     0.00000000
     41    -0.01065049    -0.20145831     0.00000000     0.00000000     0.00000000
     42     0.00000000     0.00000000    -0.94657654     0.02872425     0.10237906
     43     0.78196792    -0.04134026     0.00000000     0.00000000     0.00000000
     44     0.04134026     0.78196792     0.00000000     0.00000000     0.00000000
     45     0.00000000     0.00000000     3.67140681    -0.09802567    -0.37379898
     46    -0.17945407     0.00948719     0.00000000     0.00000000     0.00000000
     47    -0.00948719    -0.17945407     0.00000000     0.00000000     0.00000000
     48     0.00000000     0.00000000    -0.96514370     0.01550401     0.07088058
     49     0.00000000     0.00000000     0.04627517    -0.11823906     0.04246779
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51    -0.02624428     0.00138745     0.00000000     0.00000000     0.00000000
     52     0.00000000     0.00000000     0.04627517    -0.11823906     0.04246779
     53    -0.00138745    -0.02624428     0.00000000     0.00000000     0.00000000
     54     0.00000000     0.00000000    -0.05933788    -0.11660166     0.04610150
     55     0.00000000     0.00000000    -0.19900489    -1.74918310     0.73979093
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.19926203    -0.01053438     0.00000000     0.00000000     0.00000000
     58     0.00000000     0.00000000    -0.19900489    -1.74918310     0.73979093
     59     0.01053438     0.19926203     0.00000000     0.00000000     0.00000000
     60     0.00000000     0.00000000     0.67974256    -1.78094864     0.62423305
     61    -0.29314603     0.01549774     0.00000000     0.00000000     0.00000000
     62    -0.00693080    -0.13109889     0.00000000     0.00000000     0.00000000
     63     0.00000000     0.00000000    -0.61894363     0.02119631     0.07517193
     64    -0.13109889     0.00693080     0.00000000     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66    -0.13060958     0.00690493     0.00000000     0.00000000     0.00000000
     67    -0.01549774    -0.29314603     0.00000000     0.00000000     0.00000000
     68     0.00000000     0.00000000    -0.61894363     0.02119631     0.07517193
     69    -0.00690493    -0.13060958     0.00000000     0.00000000     0.00000000
     70     0.00000000     0.00000000    -1.37035031     0.04201509     0.14563392
                31             32             33             34             35
      1     0.00000000     0.00000000     0.00000000     0.00000000    -0.16648342
      2     0.00000000     0.00000000     0.00000000     0.00000000     0.03739256
      3     0.00000000     0.00000000     0.00000000     0.00000000     0.14948234
      4     0.00000000     0.00000000     0.00000000     0.00000000     0.11354802
      5    -0.25331148     1.45866261     0.47408417    -3.78959590     0.00000000
      6     1.45866261     0.25331148    -3.78959590    -0.47408417     0.00000000
      7     0.00000000     0.00000000     0.00000000     0.00000000    -1.59297259
      8     0.78493709    -4.51996252    -1.47756310    11.81091332     0.00000000
      9    -4.51996252    -0.78493709    11.81091332     1.47756310     0.00000000
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     11    -0.07356657     0.42362392     0.15070393    -1.20465313     0.00000000
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     14     0.00000000     0.00000000     0.00000000     0.00000000    -0.01187077
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00045755    -0.00263473     0.00016456    -0.00131543     0.00000000
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     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00227719    -0.01311294     0.00075688    -0.00605014     0.00000000
     23     0.00000000     0.00000000     0.00000000     0.00000000    -0.05476900
     24    -0.01311294    -0.00227719    -0.00605014    -0.00075688     0.00000000
     25     0.00000000     0.00000000     0.00000000     0.00000000     0.03195704
     26    -0.38049378     2.19102607     0.71088784    -5.68248809     0.00000000
     27     0.97985665     0.17016199    -2.54128593    -0.31791871     0.00000000
     28     0.00000000     0.00000000     0.00000000     0.00000000    -1.05417548
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                36             37             38             39             40
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                41             42             43             44             45
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                46             47             48             49             50
      1     0.00000000     0.00000000     0.00000000     0.00000000     0.02369180
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                51             52             53             54             55
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     32     0.00000000     0.00000000     0.00478781    -0.03176663     0.00000000
     33    -0.00000031    -0.00002909     0.00000000     0.00000000    -0.06139258
     34     0.00000000     0.00000000     0.00223653    -0.01483915     0.00000000
     35     0.00000000     0.00000000     0.00000000     0.00000000    -0.14160130
     36     0.00000000     0.00000000     0.00000000     0.00000000    -0.41043685
     37     0.00000000     0.00000000     0.00000000     0.00000000     0.17363454
     38     0.00000000     0.00000000     0.00000000     0.00000000     0.16935444
     39     0.00000000     0.00000000     0.00000000     0.00000000     0.14481997
     40     0.00000000     0.00000000     0.00195911     0.00029527     0.00000000
     41     0.00000000     0.00000000     0.00029527    -0.00195911     0.00000000
     42     0.00000000     0.00000000     0.00000000     0.00000000     0.02537109
     43     0.00000000     0.00000000    -0.00415875    -0.00062680     0.00000000
     44     0.00000000     0.00000000    -0.00062680     0.00415875     0.00000000
     45     0.00000000     0.00000000     0.00000000     0.00000000    -0.04912148
     46     0.00000000     0.00000000     0.00097227     0.00014654     0.00000000
     47     0.00000000     0.00000000     0.00014654    -0.00097227     0.00000000
     48     0.00000000     0.00000000     0.00000000     0.00000000     0.00881882
     49     0.01119796     1.05976733     0.00000000     0.00000000     0.52651610
     50    -1.22371390     0.01293029     0.00000000     0.00000000     0.00000000
     51     0.00000000     0.00000000    -1.20296048    -0.18130789     0.00000000
     52    -0.01119796    -1.05976733     0.00000000     0.00000000     0.52651610
     53     0.00000000     0.00000000    -0.18130789     1.20296048     0.00000000
     54     0.00000000     0.00000000     0.00000000     0.00000000    -1.07508182
     55    -0.00545595    -0.51634685     0.00000000     0.00000000    -0.26608206
     56     0.59622599    -0.00629998     0.00000000     0.00000000     0.00000000
     57     0.00000000     0.00000000     0.58616705     0.08834597     0.00000000
     58     0.00545595     0.51634685     0.00000000     0.00000000    -0.26608206
     59     0.00000000     0.00000000     0.08834597    -0.58616705     0.00000000
     60     0.00000000     0.00000000     0.00000000     0.00000000     0.51693000
     61     0.00000000     0.00000000     0.00140761     0.00021215     0.00000000
     62     0.00000000     0.00000000     0.00009488    -0.00062950     0.00000000
     63    -0.00000020    -0.00001883     0.00000000     0.00000000     0.00798490
     64     0.00000000     0.00000000     0.00062950     0.00009488     0.00000000
     65     0.00002174    -0.00000023     0.00000000     0.00000000     0.00000000
     66     0.00000000     0.00000000     0.00054198     0.00008169     0.00000000
     67     0.00000000     0.00000000     0.00021215    -0.00140761     0.00000000
     68     0.00000020     0.00001883     0.00000000     0.00000000     0.00798490
     69     0.00000000     0.00000000     0.00008169    -0.00054198     0.00000000
     70     0.00000000     0.00000000     0.00000000     0.00000000     0.01372756
                56             57             58             59             60
      1     0.00000000     0.00000000     0.00000000     0.00000000     0.43792485
      2     0.00000000     0.00000000     0.00000000     0.00000000    -0.16537530
      3     0.00000000     0.00000000     0.00000000     0.00000000    -0.26226807
      4     0.00000000     0.00000000     0.00000000     0.00000000    -0.06810765
      5     0.00000000     0.00000000     0.00640931     0.00025688     0.00000000
      6     0.00000000     0.00000000     0.00025688    -0.00640931     0.00000000
      7     0.00000000     0.00000000     0.00000000     0.00000000     0.18649971
      8     0.00000000     0.00000000    -0.01511752    -0.00060590     0.00000000
      9     0.00000000     0.00000000    -0.00060590     0.01511752     0.00000000
     10     0.00000000     0.00000000     0.00000000     0.00000000    -0.48543624
     11     0.00000000     0.00000000     0.00392236     0.00015721     0.00000000
     12     0.00000000     0.00000000     0.00015721    -0.00392236     0.00000000
     13     0.00000000     0.00000000     0.00000000     0.00000000     0.13056684
     14     0.00847078    -1.05944587     0.00000000     0.00000000     0.54236079
     15     1.22334272     0.00978122     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00000000    -1.21526770    -0.04870693     0.00000000
     17    -0.00847078     1.05944587     0.00000000     0.00000000     0.54236079
     18     0.00000000     0.00000000    -0.04870693     1.21526770     0.00000000
     19     0.00000000     0.00000000     0.00000000     0.00000000    -1.06199501
     20    -0.00410839     0.51383888     0.00000000     0.00000000    -0.25402097
     21    -0.59333003    -0.00474396     0.00000000     0.00000000     0.00000000
     22     0.00000000     0.00000000     0.58977898     0.02363786     0.00000000
     23     0.00410839    -0.51383888     0.00000000     0.00000000    -0.25402097
     24     0.00000000     0.00000000     0.02363786    -0.58977898     0.00000000
     25     0.00000000     0.00000000     0.00000000     0.00000000     0.54397891
     26     0.00000000     0.00000000     0.00507443     0.00020338     0.00000000
     27     0.00000000     0.00000000     0.00009095    -0.00226935     0.00000000
     28     0.00000016    -0.00002025     0.00000000     0.00000000     0.07484655
     29     0.00000000     0.00000000     0.00226935     0.00009095     0.00000000
     30     0.00002338     0.00000019     0.00000000     0.00000000     0.00000000
     31     0.00000000     0.00000000     0.00248226     0.00009949     0.00000000
     32     0.00000000     0.00000000     0.00020338    -0.00507443     0.00000000
     33    -0.00000016     0.00002025     0.00000000     0.00000000     0.07484655
     34     0.00000000     0.00000000     0.00009949    -0.00248226     0.00000000
     35     0.00000000     0.00000000     0.00000000     0.00000000     0.18106617
     36     0.00000000     0.00000000     0.00000000     0.00000000    -0.79015760
     37     0.00000000     0.00000000     0.00000000     0.00000000     0.30709650
     38     0.00000000     0.00000000     0.00000000     0.00000000     0.42828360
     39     0.00000000     0.00000000     0.00000000     0.00000000     0.17493998
     40     0.00000000     0.00000000    -0.03808436    -0.00152639     0.00000000
     41     0.00000000     0.00000000    -0.00152639     0.03808436     0.00000000
     42     0.00000000     0.00000000     0.00000000     0.00000000     0.23046542
     43     0.00000000     0.00000000     0.08561906     0.00343154     0.00000000
     44     0.00000000     0.00000000     0.00343154    -0.08561906     0.00000000
     45     0.00000000     0.00000000     0.00000000     0.00000000    -0.57891708
     46     0.00000000     0.00000000    -0.02249674    -0.00090165     0.00000000
     47     0.00000000     0.00000000    -0.00090165     0.02249674     0.00000000
     48     0.00000000     0.00000000     0.00000000     0.00000000     0.15752039
     49    -0.00005512     0.00689390     0.00000000     0.00000000    -0.31178794
     50    -0.00796039    -0.00006365     0.00000000     0.00000000     0.00000000
     51     0.00000000     0.00000000    -0.13287218    -0.00532541     0.00000000
     52     0.00005512    -0.00689390     0.00000000     0.00000000    -0.31178794
     53     0.00000000     0.00000000    -0.00532541     0.13287218     0.00000000
     54     0.00000000     0.00000000     0.00000000     0.00000000     0.58532671
     55     0.00002746    -0.00343473     0.00000000     0.00000000     0.13397387
     56     0.00396608     0.00003171     0.00000000     0.00000000     0.00000000
     57     0.00000000     0.00000000     0.06624569     0.00265507     0.00000000
     58    -0.00002746     0.00343473     0.00000000     0.00000000     0.13397387
     59     0.00000000     0.00000000     0.00265507    -0.06624569     0.00000000
     60     0.00000000     0.00000000     0.00000000     0.00000000    -0.32503802
     61     0.00000000     0.00000000    -0.02791914    -0.00111898     0.00000000
     62     0.00000000     0.00000000    -0.00050042     0.01248582     0.00000000
     63    -0.00000023     0.00002856     0.00000000     0.00000000     0.08741392
     64     0.00000000     0.00000000    -0.01248582    -0.00050042     0.00000000
     65    -0.00003298    -0.00000026     0.00000000     0.00000000     0.00000000
     66     0.00000000     0.00000000    -0.01314237    -0.00052674     0.00000000
     67     0.00000000     0.00000000    -0.00111898     0.02791914     0.00000000
     68     0.00000023    -0.00002856     0.00000000     0.00000000     0.08741392
     69     0.00000000     0.00000000    -0.00052674     0.01314237     0.00000000
     70     0.00000000     0.00000000     0.00000000     0.00000000     0.20931070
                61             62             63             64             65
      1    -4.57969903     0.00000000    -0.00000000    13.73219813    -3.11124001
      2     1.10138512     0.00000000     0.00000000    -3.06250515     0.64744969
      3     2.91521810     0.00000000     0.00000000    -9.11929766     2.08664938
      4     1.26643757     0.00000000     0.00000000    -3.62195931     0.75505501
      5     0.00000000     0.04456108    -0.26560879     0.00000000     0.00000000
      6     0.00000000    -0.26560879    -0.04456108     0.00000000     0.00000000
      7    -0.09043003     0.00000000     0.00000000    -0.07474443     0.04649096
      8     0.00000000    -0.31637585     1.88577595     0.00000000     0.00000000
      9     0.00000000     1.88577595     0.31637585     0.00000000     0.00000000
     10     0.51159020     0.00000000     0.00000000     0.38623813    -0.60414913
     11     0.00000000     0.02058516    -0.12269899     0.00000000     0.00000000
     12     0.00000000    -0.12269899    -0.02058516     0.00000000     0.00000000
     13    -0.04980439     0.00000000     0.00000000    -0.05212677    -0.04173847
     14     0.14673589     0.00000000     0.00000000    -0.56917809     0.11776045
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00227904    -0.01358435     0.00000000     0.00000000
     17     0.14673589     0.00000000     0.00000000    -0.56917809     0.11776045
     18     0.00000000    -0.01358435    -0.00227904     0.00000000     0.00000000
     19     0.20754561     0.00000000     0.00000000    -0.52386069     0.20868963
     20    -0.25653855     0.00000000     0.00000000     0.91859104    -0.17422128
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00000000    -0.00190276     0.01134154     0.00000000     0.00000000
     23    -0.25653855     0.00000000     0.00000000     0.91859104    -0.17422128
     24     0.00000000     0.01134154     0.00190276     0.00000000     0.00000000
     25    -0.30533062     0.00000000     0.00000000     0.88041242    -0.25574786
     26     0.00000000     0.18045417    -1.07560716     0.00000000     0.00000000
     27     0.00000000    -0.48102614    -0.08070156     0.00000000     0.00000000
     28    -0.11505190     0.00000000     0.00000000    -0.08402390     0.18320731
     29     0.00000000     0.08070156    -0.48102614     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.00000000     0.08011708    -0.47754230     0.00000000     0.00000000
     32     0.00000000    -1.07560716    -0.18045417     0.00000000     0.00000000
     33    -0.11505190     0.00000000     0.00000000    -0.08402390     0.18320731
     34     0.00000000    -0.47754230    -0.08011708     0.00000000     0.00000000
     35    -0.27935739     0.00000000     0.00000000    -0.20313837     0.38246422
     36   -14.18028758     0.00000000     0.00000000    -4.22339854     0.76915554
     37     3.20646275     0.00000000     0.00000000     0.87856040    -0.14319243
     38     9.37069435     0.00000000     0.00000000     2.89918067    -0.60805420
     39     3.75729495     0.00000000     0.00000000     1.07273172    -0.12799676
     40     0.00000000     0.22088740    -1.31661171     0.00000000     0.00000000
     41     0.00000000    -1.31661171    -0.22088740     0.00000000     0.00000000
     42     0.02742081     0.00000000     0.00000000    -0.37944687    -1.44903340
     43     0.00000000    -1.46124848     8.70985318     0.00000000     0.00000000
     44     0.00000000     8.70985318     1.46124848     0.00000000     0.00000000
     45    -0.16197047     0.00000000     0.00000000     2.32555684     9.19414841
     46     0.00000000     0.10778310    -0.64244720     0.00000000     0.00000000
     47     0.00000000    -0.64244720    -0.10778310     0.00000000     0.00000000
     48     0.01505372     0.00000000     0.00000000    -0.19780689    -0.73096437
     49     0.55952185     0.00000000     0.00000000     0.20889623    -0.02832768
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51     0.00000000    -0.00039349     0.00234543     0.00000000     0.00000000
     52     0.55952185     0.00000000     0.00000000     0.20889623    -0.02832768
     53     0.00000000     0.00234543     0.00039349     0.00000000     0.00000000
     54     0.57186100     0.00000000     0.00000000     0.14134751    -0.03890451
     55    -0.92358912     0.00000000     0.00000000    -0.32120788     0.06153475
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.00000000     0.00033399    -0.00199077     0.00000000     0.00000000
     58    -0.92358912     0.00000000     0.00000000    -0.32120788     0.06153475
     59     0.00000000    -0.00199077    -0.00033399     0.00000000     0.00000000
     60    -0.93372146     0.00000000     0.00000000    -0.26532537     0.07114167
     61     0.00000000     0.81964259    -4.88552542     0.00000000     0.00000000
     62     0.00000000    -2.18487339    -0.36655531     0.00000000     0.00000000
     63     0.03775325     0.00000000     0.00000000    -0.56348639    -2.28384716
     64     0.00000000     0.36655531    -2.18487339     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66     0.00000000     0.36644640    -2.18422421     0.00000000     0.00000000
     67     0.00000000    -4.88552542    -0.81964259     0.00000000     0.00000000
     68     0.03775325     0.00000000     0.00000000    -0.56348639    -2.28384716
     69     0.00000000    -2.18422421    -0.36644640     0.00000000     0.00000000
     70     0.08903125     0.00000000     0.00000000    -1.28423526    -5.10538054
                66             67             68             69             70
      1     0.00000000     0.00000000    -0.54955679    52.77936159    55.70104990
      2     0.00000000     0.00000000     0.09654108   -25.64980361   -26.90729101
      3     0.00000000     0.00000000     0.44835358   -30.96766592   -33.03505905
      4     0.00000000     0.00000000     0.06517189   -14.91713972   -15.54076018
      5     0.10287629    -1.33145773     0.00000000     0.00000000     0.00000000
      6    -1.33145773    -0.10287629     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000    -1.49565717     0.02186886     0.00348678
      8    -0.68115919     8.81577964     0.00000000     0.00000000     0.00000000
      9     8.81577964     0.68115919     0.00000000     0.00000000     0.00000000
     10     0.00000000     0.00000000     9.47833247    -0.07058103    -0.02435244
     11     0.05079198    -0.65736607     0.00000000     0.00000000     0.00000000
     12    -0.65736607    -0.05079198     0.00000000     0.00000000     0.00000000
     13     0.00000000     0.00000000    -0.77277793     0.02702176     0.00144815
     14     0.00000000     0.00000000     0.01101380     3.43896669     3.58687902
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16    -0.00030274     0.00391819     0.00000000     0.00000000     0.00000000
     17     0.00000000     0.00000000     0.01101380     3.43896669     3.58687902
     18     0.00391819     0.00030274     0.00000000     0.00000000     0.00000000
     19     0.00000000     0.00000000     0.05198118     3.40693829     3.61743382
     20     0.00000000     0.00000000    -0.03295286     3.14165236     3.42513577
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00025410    -0.00328867     0.00000000     0.00000000     0.00000000
     23     0.00000000     0.00000000    -0.03295286     3.14165236     3.42513577
     24    -0.00328867    -0.00025410     0.00000000     0.00000000     0.00000000
     25     0.00000000     0.00000000    -0.06910028     3.19116963     3.37916714
     26     0.38165607    -4.93951469     0.00000000     0.00000000     0.00000000
     27    -2.20901813    -0.17068178     0.00000000     0.00000000     0.00000000
     28     0.00000000     0.00000000    -2.34667629     0.00261228     0.01585867
     29     0.17068178    -2.20901813     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.17075747    -2.20999769     0.00000000     0.00000000     0.00000000
     32    -4.93951469    -0.38165607     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000    -2.34667629     0.00261228     0.01585867
     34    -2.20999769    -0.17075747     0.00000000     0.00000000     0.00000000
     35     0.00000000     0.00000000    -5.25586255     0.02842479     0.01261039
     36     0.00000000     0.00000000     0.63289420    55.05400635   -53.45037711
     37     0.00000000     0.00000000    -0.08919555   -26.74907162    25.81433207
     38     0.00000000     0.00000000    -0.46094104   -32.31780523    31.71487533
     39     0.00000000     0.00000000    -0.08676865   -15.55144623    14.90470182
     40    -0.02705099     0.35010260     0.00000000     0.00000000     0.00000000
     41     0.35010260     0.02705099     0.00000000     0.00000000     0.00000000
     42     0.00000000     0.00000000    -0.25853424    -0.02195913     0.00254391
     43     0.16916475    -2.18938421     0.00000000     0.00000000     0.00000000
     44    -2.18938421    -0.16916475     0.00000000     0.00000000     0.00000000
     45     0.00000000     0.00000000     1.32412383     0.07143509    -0.02124105
     46    -0.01387404     0.17956223     0.00000000     0.00000000     0.00000000
     47     0.17956223     0.01387404     0.00000000     0.00000000     0.00000000
     48     0.00000000     0.00000000    -0.19833489    -0.02703011     0.00030885
     49     0.00000000     0.00000000    -0.01583710     3.58558538    -3.44050385
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51    -0.00103350     0.01337586     0.00000000     0.00000000     0.00000000
     52     0.00000000     0.00000000    -0.01583710     3.58558538    -3.44050385
     53     0.01337586     0.00103350     0.00000000     0.00000000     0.00000000
     54     0.00000000     0.00000000    -0.11298751     3.55490121    -3.47232827
     55     0.00000000     0.00000000     0.01161917     3.28199708    -3.29139749
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.00087966    -0.01138487     0.00000000     0.00000000     0.00000000
     58     0.00000000     0.00000000     0.01161917     3.28199708    -3.29139749
     59    -0.01138487    -0.00087966     0.00000000     0.00000000     0.00000000
     60     0.00000000     0.00000000     0.09998885     3.32952524    -3.24342831
     61    -0.09341318     1.20898324     0.00000000     0.00000000     0.00000000
     62     0.54067374     0.04177565     0.00000000     0.00000000     0.00000000
     63     0.00000000     0.00000000    -0.29401091    -0.00325838     0.01569850
     64    -0.04177565     0.54067374     0.00000000     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66    -0.04204821     0.54420139     0.00000000     0.00000000     0.00000000
     67     1.20898324     0.09341318     0.00000000     0.00000000     0.00000000
     68     0.00000000     0.00000000    -0.29401091    -0.00325838     0.01569850
     69     0.54420139     0.04204821     0.00000000     0.00000000     0.00000000
     70     0.00000000     0.00000000    -0.68676397    -0.02888599     0.01133914

         -----------------------------------------
               UHF spin-down orbital coefficients 
         -----------------------------------------
                 1              2              3              4              5
      1    -1.00962339    -0.09406164    -0.09218916     0.01956312    -0.13331976
      2     0.00501054     0.00602503    -0.25220034     0.00071252    -0.04853735
      3     0.00714991    -0.08690575     2.68159059     0.03410309     0.23949540
      4     0.00238607    -0.01359693    -2.10511760    -0.27571927    -0.01365427
      5     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
      6     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
      7    -0.00036566     0.00486001     0.05344934    -0.02836999     0.52463594
      8     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
      9     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     10     0.00132481    -0.01262717    -0.19213385     0.11266382    -1.89675679
     11     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     12     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     13    -0.00061716     0.01755018     0.10525728    -0.04569781     1.10701422
     14    -0.00071566     0.00055554    -0.02422551    -0.00156678    -0.00011872
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     17    -0.00071566     0.00055554    -0.02422551    -0.00156678    -0.00011872
     18     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     19    -0.00069498     0.00176523    -0.02473030     0.00453146    -0.00538145
     20    -0.00081552     0.01166735    -0.28453248     0.01439092    -0.04386957
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     23    -0.00081552     0.01166735    -0.28453248     0.01439092    -0.04386957
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     28    -0.00023649     0.00306979     0.03474569    -0.01762255     0.33954415
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     33    -0.00023649     0.00306979     0.03474569    -0.01762255     0.33954415
     34     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     35    -0.00054079     0.00635856     0.07787351    -0.04267056     0.76198965
     36    -0.01689510     0.73093831     0.06188508    -0.01687669    -0.16681617
     37     0.00173078     0.02036815    -0.00577645     0.37683173    -0.05820021
     38     0.00654785    -0.77565905    -0.02838535    -3.11169121     0.37708995
     39     0.00154778     0.87910918     0.29483878     1.94646913    -0.19326526
     40     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     46     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     49    -0.00013710     0.00878016     0.00154452     0.02612459    -0.00059836
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     55    -0.00006398     0.07846881    -0.01220948     0.33880316    -0.05920762
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                 6              7              8              9             10
      1     0.00000000     0.00000000     0.00000000     0.00000000    -0.11813760
      2     0.00000000     0.00000000     0.00000000     0.00000000    -0.11534061
      3     0.00000000     0.00000000     0.00000000     0.00000000     0.77311976
      4     0.00000000     0.00000000     0.00000000     0.00000000    -0.62185042
      5     0.58459157    -0.38182121     0.10885448     0.18000202     0.00000000
      6    -0.38182121    -0.58459157    -0.18000202     0.10885448     0.00000000
      7     0.00000000     0.00000000     0.00000000     0.00000000    -0.42885504
      8    -2.11078005     1.37863874    -0.39171985    -0.64774888     0.00000000
      9     1.37863874     2.11078005     0.64774888    -0.39171985     0.00000000
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     11     1.18636467    -0.77486439     0.24821400     0.41044725     0.00000000
     12    -0.77486439    -1.18636467    -0.41044725     0.24821400     0.00000000
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     14     0.00000000     0.00000000     0.00000000     0.00000000    -0.00039352
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16    -0.00058675     0.00038323     0.00118276     0.00195581     0.00000000
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     20     0.00000000     0.00000000     0.00000000     0.00000000    -0.10248649
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     23     0.00000000     0.00000000     0.00000000     0.00000000    -0.10248649
     24    -0.00173058    -0.00264963     0.00897064    -0.00542491     0.00000000
     25     0.00000000     0.00000000     0.00000000     0.00000000    -0.04056853
     26     0.85107935    -0.55587552     0.15760638     0.26061828     0.00000000
     27    -0.24859509    -0.38061425    -0.11655204     0.07048372     0.00000000
     28     0.00000000     0.00000000     0.00000000     0.00000000    -0.27814487
     29     0.38061425    -0.24859509     0.07048372     0.11655204     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.38086669    -0.24875997     0.06999943     0.11575123     0.00000000
     32    -0.55587552    -0.85107935    -0.26061828     0.15760638     0.00000000
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     34    -0.24875997    -0.38086669    -0.11575123     0.06999943     0.00000000
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     36     0.00000000     0.00000000     0.00000000     0.00000000     0.07064628
     37     0.00000000     0.00000000     0.00000000     0.00000000     0.10318346
     38     0.00000000     0.00000000     0.00000000     0.00000000    -0.71202066
     39     0.00000000     0.00000000     0.00000000     0.00000000     0.61686367
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     41    -0.14947050    -0.22884845     0.63786044    -0.38573992     0.00000000
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     43    -0.83394954     0.54468733     1.40485093     2.32306482     0.00000000
     44     0.54468733     0.83394954    -2.32306482     1.40485093     0.00000000
     45     0.00000000     0.00000000     0.00000000     0.00000000     2.19145348
     46     0.41432509    -0.27061304    -0.75960988    -1.25609270     0.00000000
     47    -0.27061304    -0.41432509     1.25609270    -0.75960988     0.00000000
     48     0.00000000     0.00000000     0.00000000     0.00000000    -1.31204001
     49     0.00000000     0.00000000     0.00000000     0.00000000     0.00077440
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     52     0.00000000     0.00000000     0.00000000     0.00000000     0.00077440
     53    -0.00109303    -0.00167349    -0.00061796     0.00037371     0.00000000
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     57    -0.00736353     0.00480943    -0.00167081    -0.00276286     0.00000000
     58     0.00000000     0.00000000     0.00000000     0.00000000     0.08657054
     59     0.00480943     0.00736353     0.00276286    -0.00167081     0.00000000
     60     0.00000000     0.00000000     0.00000000     0.00000000     0.04076309
     61     0.33485915    -0.21871052    -0.56242345    -0.93002475     0.00000000
     62    -0.09781032    -0.14975356     0.41591971    -0.25152341     0.00000000
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     64     0.14975356    -0.09781032    -0.25152341    -0.41591971     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     67    -0.21871052    -0.33485915     0.93002475    -0.56242345     0.00000000
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     69    -0.09826479    -0.15044939     0.41567534    -0.25137563     0.00000000
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                11             12             13             14             15
      1    -2.73933551     0.96170759     0.00000000     0.00000000     0.11603442
      2    -1.22626989     0.48426282     0.00000000     0.00000000     0.11959910
      3     6.40401493    -2.33907846     0.00000000     0.00000000    -0.39767916
      4    -0.67558196     0.40269033     0.00000000     0.00000000     0.08884599
      5     0.00000000     0.00000000     0.00125644    -2.10019200     0.00000000
      6     0.00000000     0.00000000    -2.10019200    -0.00125644     0.00000000
      7     0.02068788     0.03270546     0.00000000     0.00000000     1.76765935
      8     0.00000000     0.00000000    -0.00476931     7.97213429     0.00000000
      9     0.00000000     0.00000000     7.97213429     0.00476931     0.00000000
     10    -0.08352269    -0.13335977     0.00000000     0.00000000    -6.72733524
     11     0.00000000     0.00000000     0.00090239    -1.50839101     0.00000000
     12     0.00000000     0.00000000    -1.50839101    -0.00090239     0.00000000
     13    -0.02745195     0.04916414     0.00000000     0.00000000     1.25876092
     14    -0.05544764     0.02389158     0.00000000     0.00000000     0.01000333
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00000000    -0.00000322     0.00538862     0.00000000
     17    -0.05544764     0.02389158     0.00000000     0.00000000     0.01000333
     18     0.00000000     0.00000000     0.00538862     0.00000322     0.00000000
     19    -0.06238346     0.00795083     0.00000000     0.00000000    -0.01778495
     20    -0.93028575     0.29568506     0.00000000     0.00000000    -0.01889330
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00000000     0.00000000     0.00002092    -0.03497308     0.00000000
     23    -0.93028575     0.29568506     0.00000000     0.00000000    -0.01889330
     24     0.00000000     0.00000000    -0.03497308    -0.00002092     0.00000000
     25    -0.89407324     0.38022281     0.00000000     0.00000000     0.16554024
     26     0.00000000     0.00000000     0.00185728    -3.10452501     0.00000000
     27     0.00000000     0.00000000    -1.38838579    -0.00083060     0.00000000
     28     0.01342277     0.01850042     0.00000000     0.00000000     1.16593103
     29     0.00000000     0.00000000     0.00083060    -1.38838579     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.00000000     0.00000000     0.00083100    -1.38905949     0.00000000
     32     0.00000000     0.00000000    -3.10452501    -0.00185728     0.00000000
     33     0.01342277     0.01850042     0.00000000     0.00000000     1.16593103
     34     0.00000000     0.00000000    -1.38905949    -0.00083100     0.00000000
     35     0.03268916     0.04862222     0.00000000     0.00000000     2.61093961
     36    -1.03542338    -2.81220947     0.00000000     0.00000000     0.21148870
     37    -0.39821610    -1.22887089     0.00000000     0.00000000     0.08166610
     38     2.22443760     6.34931354     0.00000000     0.00000000    -0.42265491
     39    -0.05962571    -0.65884462     0.00000000     0.00000000    -0.06276406
     40     0.00000000     0.00000000     0.00045403    -0.75893559     0.00000000
     41     0.00000000     0.00000000    -0.75893559    -0.00045403     0.00000000
     42    -0.01786205    -0.00517643     0.00000000     0.00000000    -0.93804580
     43     0.00000000     0.00000000    -0.00171073     2.85957349     0.00000000
     44     0.00000000     0.00000000     2.85957349     0.00171073     0.00000000
     45     0.07680796     0.01691128     0.00000000     0.00000000     3.56171443
     46     0.00000000     0.00000000     0.00029198    -0.48806103     0.00000000
     47     0.00000000     0.00000000    -0.48806103    -0.00029198     0.00000000
     48     0.00750387     0.04742653     0.00000000     0.00000000    -0.53396307
     49    -0.01783918    -0.06003374     0.00000000     0.00000000     0.02673077
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51     0.00000000     0.00000000     0.00000821    -0.01372386     0.00000000
     52    -0.01783918    -0.06003374     0.00000000     0.00000000     0.02673077
     53     0.00000000     0.00000000    -0.01372386    -0.00000821     0.00000000
     54    -0.03323580    -0.05657634     0.00000000     0.00000000    -0.03785289
     55    -0.36737508    -0.93887780     0.00000000     0.00000000    -0.07514691
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.00000000     0.00000000    -0.00005128     0.08571883     0.00000000
     58    -0.36737508    -0.93887780     0.00000000     0.00000000    -0.07514691
     59     0.00000000     0.00000000     0.08571883     0.00005128     0.00000000
     60    -0.28981084    -0.95631706     0.00000000     0.00000000     0.33969627
     61     0.00000000     0.00000000     0.00067173    -1.12283345     0.00000000
     62     0.00000000     0.00000000    -0.50214639    -0.00030041     0.00000000
     63    -0.00943500    -0.00513655     0.00000000     0.00000000    -0.61650185
     64     0.00000000     0.00000000     0.00030041    -0.50214639     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66     0.00000000     0.00000000     0.00030159    -0.50411406     0.00000000
     67     0.00000000     0.00000000    -1.12283345    -0.00067173     0.00000000
     68    -0.00943500    -0.00513655     0.00000000     0.00000000    -0.61650185
     69     0.00000000     0.00000000    -0.50411406    -0.00030159     0.00000000
     70    -0.02808755    -0.00926116     0.00000000     0.00000000    -1.38796783
                16             17             18             19             20
      1     0.00000000     0.00000000    -0.16792442     0.00000000     0.00000000
      2     0.00000000     0.00000000     0.06683740     0.00000000     0.00000000
      3     0.00000000     0.00000000     0.08810558     0.00000000     0.00000000
      4     0.00000000     0.00000000     0.20892274     0.00000000     0.00000000
      5    -0.39070684     0.68364238     0.00000000     0.00000000     0.00000000
      6     0.68364238     0.39070684     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000     1.09414189     0.00000000     0.00000000
      8     1.48771879    -2.60314772     0.00000000     0.00000000     0.00000000
      9    -2.60314772    -1.48771879     0.00000000     0.00000000     0.00000000
     10     0.00000000     0.00000000    -4.13437231     0.00000000     0.00000000
     11    -0.30228278     0.52892168     0.00000000     0.00000000     0.00000000
     12     0.52892168     0.30228278     0.00000000     0.00000000     0.00000000
     13     0.00000000     0.00000000     0.91616787     0.00000000     0.00000000
     14     0.00000000     0.00000000    -0.04786711    -0.12724636     0.00006749
     15     0.00000000     0.00000000     0.00000000    -0.00007793    -0.14693144
     16    -0.01150645     0.02013350     0.00000000     0.00000000     0.00000000
     17     0.00000000     0.00000000    -0.04786711     0.12724636    -0.00006749
     18     0.02013350     0.01150645     0.00000000     0.00000000     0.00000000
     19     0.00000000     0.00000000     0.07135460     0.00000000     0.00000000
     20     0.00000000     0.00000000     0.23889724     0.93418756    -0.00049550
     21     0.00000000     0.00000000     0.00000000     0.00057215     1.07870688
     22     0.07765608    -0.13587933     0.00000000     0.00000000     0.00000000
     23     0.00000000     0.00000000     0.23889724    -0.93418756     0.00049550
     24    -0.13587933    -0.07765608     0.00000000     0.00000000     0.00000000
     25     0.00000000     0.00000000    -0.58426464     0.00000000     0.00000000
     26    -0.57628067     1.00835166     0.00000000     0.00000000     0.00000000
     27     0.45094857     0.25772055     0.00000000     0.00000000     0.00000000
     28     0.00000000     0.00000000     0.72560373    -0.00001745     0.00000001
     29    -0.25772055     0.45094857     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000    -0.00000001    -0.00002015
     31    -0.25668344     0.44913388     0.00000000     0.00000000     0.00000000
     32     1.00835166     0.57628067     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000     0.72560373     0.00001745    -0.00000001
     34     0.44913388     0.25668344     0.00000000     0.00000000     0.00000000
     35     0.00000000     0.00000000     1.61222076     0.00000000     0.00000000
     36     0.00000000     0.00000000     0.11142736     0.00000000     0.00000000
     37     0.00000000     0.00000000    -0.14981961     0.00000000     0.00000000
     38     0.00000000     0.00000000     0.11652244     0.00000000     0.00000000
     39     0.00000000     0.00000000    -0.22976187     0.00000000     0.00000000
     40     1.05597374    -1.84769840     0.00000000     0.00000000     0.00000000
     41    -1.84769840    -1.05597374     0.00000000     0.00000000     0.00000000
     42     0.00000000     0.00000000     1.71381700     0.00000000     0.00000000
     43    -3.99024864     6.98196912     0.00000000     0.00000000     0.00000000
     44     6.98196912     3.99024864     0.00000000     0.00000000     0.00000000
     45     0.00000000     0.00000000    -6.45845736     0.00000000     0.00000000
     46     0.74418598    -1.30214530     0.00000000     0.00000000     0.00000000
     47    -1.30214530    -0.74418598     0.00000000     0.00000000     0.00000000
     48     0.00000000     0.00000000     1.28009778     0.00000000     0.00000000
     49     0.00000000     0.00000000     0.02917273    -0.00150697     0.00000080
     50     0.00000000     0.00000000     0.00000000    -0.00000092    -0.00174010
     51    -0.00339218     0.00593549     0.00000000     0.00000000     0.00000000
     52     0.00000000     0.00000000     0.02917273     0.00150697    -0.00000080
     53     0.00593549     0.00339218     0.00000000     0.00000000     0.00000000
     54     0.00000000     0.00000000    -0.03226514     0.00000000     0.00000000
     55     0.00000000     0.00000000    -0.12317375     0.01052382    -0.00000558
     56     0.00000000     0.00000000     0.00000000     0.00000645     0.01215186
     57     0.02201939    -0.03852860     0.00000000     0.00000000     0.00000000
     58     0.00000000     0.00000000    -0.12317375    -0.01052382     0.00000558
     59    -0.03852860    -0.02201939     0.00000000     0.00000000     0.00000000
     60     0.00000000     0.00000000     0.28833404     0.00000000     0.00000000
     61     1.55870881    -2.72736307     0.00000000     0.00000000     0.00000000
     62    -1.21971384    -0.69707577     0.00000000     0.00000000     0.00000000
     63     0.00000000     0.00000000     1.13362504    -0.00001721     0.00000001
     64     0.69707577    -1.21971384     0.00000000     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000    -0.00000001    -0.00001987
     66     0.69668589    -1.21903165     0.00000000     0.00000000     0.00000000
     67    -2.72736307    -1.55870881     0.00000000     0.00000000     0.00000000
     68     0.00000000     0.00000000     1.13362504     0.00001721    -0.00000001
     69    -1.21903165    -0.69668589     0.00000000     0.00000000     0.00000000
     70     0.00000000     0.00000000     2.52804035     0.00000000     0.00000000
                21             22             23             24             25
      1     0.00000000     0.00000000     0.17961595     0.00000000     0.00000000
      2     0.00000000     0.00000000    -0.13102903     0.00000000     0.00000000
      3     0.00000000     0.00000000    -0.13894499     0.00000000     0.00000000
      4     0.00000000     0.00000000    -0.09298324     0.00000000     0.00000000
      5     0.00739973     0.00027639     0.00000000     0.00000000     0.00000000
      6    -0.00027639     0.00739973     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000     0.25011382     0.00000000     0.00000000
      8    -0.02735504    -0.00102174     0.00000000     0.00000000     0.00000000
      9     0.00102174    -0.02735504     0.00000000     0.00000000     0.00000000
     10     0.00000000     0.00000000    -0.98459911     0.00000000     0.00000000
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     24    -0.03911165     1.04713206     0.00000000     0.00000000     0.00000000
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     27    -0.00018740     0.00501734     0.00000000     0.00000000     0.00000000
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     32    -0.00041905     0.01121911     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000     0.16114286     0.00001828     0.00000001
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     36     0.00000000     0.00000000     0.12916514     0.00000000     0.00000000
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     39     0.00000000     0.00000000    -0.01730123     0.00000000     0.00000000
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     42     0.00000000     0.00000000    -0.71042373     0.00000000     0.00000000
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     44    -0.04669650     1.25020031     0.00000000     0.00000000     0.00000000
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     60     0.00000000     0.00000000    -0.68890987     0.00000000     0.00000000
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                26             27             28             29             30
      1     0.00000000     0.00000000     0.14745133    -1.62865163    -0.62761063
      2     0.00000000     0.00000000    -0.07341021     0.20056892    -0.00904694
      3     0.00000000     0.00000000    -0.43047664     5.62626776     2.33526949
      4     0.00000000     0.00000000     0.26894392    -0.45706105    -0.29221059
      5     0.19623940    -0.04678653     0.00000000     0.00000000     0.00000000
      6    -0.04678653    -0.19623940     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000     0.94657654    -0.02872425     0.10237906
      8    -0.76171055     0.18160366     0.00000000     0.00000000     0.00000000
      9     0.18160366     0.76171055     0.00000000     0.00000000     0.00000000
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     24    -0.04627647    -0.19410002     0.00000000     0.00000000     0.00000000
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     26     0.28555190    -0.06808002     0.00000000     0.00000000     0.00000000
     27    -0.03044631    -0.12770269     0.00000000     0.00000000     0.00000000
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     29     0.12770269    -0.03044631     0.00000000     0.00000000     0.00000000
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     32    -0.06808002    -0.28555190     0.00000000     0.00000000     0.00000000
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     34    -0.03033267    -0.12722605     0.00000000     0.00000000     0.00000000
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     36     0.00000000     0.00000000    -0.11186225    -0.57730819     1.65330721
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     39     0.00000000     0.00000000    -0.27044975    -0.06514348     0.51195122
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     42     0.00000000     0.00000000     1.06049724     0.10225602     0.04508855
     43     0.33337290    -0.07948129     0.00000000     0.00000000     0.00000000
     44    -0.07948129    -0.33337290     0.00000000     0.00000000     0.00000000
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     46    -0.07209394     0.01718832     0.00000000     0.00000000     0.00000000
     47     0.01718832     0.07209394     0.00000000     0.00000000     0.00000000
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     49     0.00000000     0.00000000    -0.05187734    -0.04437579     0.11411966
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     55     0.00000000     0.00000000     0.27301250    -0.56203759     1.79313233
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     59    -0.24499882    -1.02761247     0.00000000     0.00000000     0.00000000
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     61    -0.12726650     0.03034232     0.00000000     0.00000000     0.00000000
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     64    -0.05691531     0.01356950     0.00000000     0.00000000     0.00000000
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                31             32             33             34             35
      1     0.00000000     0.00000000     0.00000000     0.00000000    -0.07938084
      2     0.00000000     0.00000000     0.00000000     0.00000000    -0.01546777
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      9    11.79911429    -0.29730563     4.87963950     1.19814981     0.00000000
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     27    -2.53767774     0.06394259    -1.04262595    -0.25600705     0.00000000
     28     0.00000000     0.00000000     0.00000000     0.00000000    -2.52728057
     29     0.06394259     2.53767774     0.25600705    -1.04262595     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     32    -5.67441993     0.14297997    -2.33138251    -0.57244916     0.00000000
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     34    -2.54034671     0.06400984    -1.03479449    -0.25408410     0.00000000
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     36     0.00000000     0.00000000     0.00000000     0.00000000    -0.16648342
     37     0.00000000     0.00000000     0.00000000     0.00000000     0.03739256
     38     0.00000000     0.00000000     0.00000000     0.00000000     0.14948234
     39     0.00000000     0.00000000     0.00000000     0.00000000     0.11354802
     40     0.03729260     1.48002452    -0.91070146     3.70896424     0.00000000
     41    -1.48002452     0.03729260     3.70896424     0.91070146     0.00000000
     42     0.00000000     0.00000000     0.00000000     0.00000000     1.59297259
     43    -0.11555869    -4.58615674     2.83835435   -11.55961119    -0.00000000
     44     4.58615674    -0.11555869   -11.55961119    -2.83835435     0.00000000
     45     0.00000000     0.00000000     0.00000000     0.00000000    -4.87070475
     46     0.01083049     0.42982783    -0.28949772     1.17902159     0.00000000
     47    -0.42982783     0.01083049     1.17902159     0.28949772     0.00000000
     48     0.00000000     0.00000000     0.00000000     0.00000000     0.36515041
     49     0.00000000     0.00000000     0.00000000     0.00000000    -0.01187077
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51     0.00006736     0.00267331     0.00031612    -0.00128744     0.00000000
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     53    -0.00267331     0.00006736    -0.00128744    -0.00031612     0.00000000
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     55     0.00000000     0.00000000     0.00000000     0.00000000    -0.05476900
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     59    -0.01330498     0.00033525    -0.00592141    -0.00145395     0.00000000
     60     0.00000000     0.00000000     0.00000000     0.00000000     0.03195704
     61     0.05601642     2.22311334    -1.36559421     5.56158115     0.00000000
     62    -0.99420651     0.02505130     2.48721470     0.61071229     0.00000000
     63     0.00000000     0.00000000     0.00000000     0.00000000     1.05417548
     64     0.02505130     0.99420651    -0.61071229     2.48721470     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     67    -2.22311334     0.05601642     5.56158115     1.36559421     0.00000000
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     69    -1.00142172     0.02523311     2.48379576     0.60987281     0.00000000
     70     0.00000000     0.00000000     0.00000000     0.00000000     2.40918654
                36             37             38             39             40
      1     0.16759927     0.00000000     0.00000000     0.00000000     0.00000000
      2    -0.07819438     0.00000000     0.00000000     0.00000000     0.00000000
      3     0.00678822     0.00000000     0.00000000     0.00000000     0.00000000
      4    -0.24491122     0.00000000     0.00000000     0.00000000     0.00000000
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      6     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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      9     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
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     27     0.00000000    -0.54430875    -0.91034498     0.00000000    -0.00000000
     28    -1.38181779     0.00000000    -0.00000000     0.86602166    -0.00254325
     29     0.00000000    -0.91034498     0.54430875     0.00000000     0.00000000
     30     0.00000000     0.00000000    -0.00000000     0.00293669     0.99999568
     31     0.00000000     0.00000000    -0.00000000     0.00000000     0.00000000
     32     0.00000000     0.40570379     0.67853108     0.00000000     0.00000000
     33    -1.38181779    -0.00000000     0.00000000    -0.86602166     0.00254325
     34     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     35    -3.01779668     0.00000000     0.00000000     0.00000000     0.00000000
     36    -0.07900468     0.00000000     0.00000000     0.00000000     0.00000000
     37     0.07001356     0.00000000     0.00000000     0.00000000     0.00000000
     38    -0.13569241     0.00000000     0.00000000     0.00000000     0.00000000
     39     0.22590231     0.00000000     0.00000000     0.00000000     0.00000000
     40     0.00000000    -0.00000000     0.00000000     0.00000000     0.00000000
     41     0.00000000     0.00000000    -0.00000000     0.00000000     0.00000000
     42    -3.98147947     0.00000000     0.00000000     0.00000000     0.00000000
     43     0.00000000     0.00000000    -0.00000000     0.00000000     0.00000000
     44     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     45    12.52346209     0.00000000     0.00000000     0.00000000     0.00000000
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     47     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     48    -1.45341683     0.00000000     0.00000000     0.00000000     0.00000000
     49    -0.00892095     0.00000000     0.00000000    -0.00002692     0.00000008
     50     0.00000000     0.00000000     0.00000000    -0.00000009    -0.00003109
     51     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     52    -0.00892095     0.00000000     0.00000000     0.00002692    -0.00000008
     53     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     54     0.00697048     0.00000000     0.00000000     0.00000000     0.00000000
     55    -0.01335950     0.00000000     0.00000000    -0.00001183     0.00000003
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     57     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     58    -0.01335950     0.00000000     0.00000000     0.00001183    -0.00000003
     59     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     60     0.06920406     0.00000000     0.00000000     0.00000000     0.00000000
     61     0.00000000     0.00000530    -0.00000317     0.00000000     0.00000000
     62     0.00000000    -0.00000425    -0.00000711     0.00000000     0.00000000
     63    -2.67090113     0.00000000     0.00000000    -0.00010600     0.00000031
     64     0.00000000    -0.00000711     0.00000425     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000    -0.00000036    -0.00012240
     66     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     67     0.00000000     0.00000317     0.00000530     0.00000000     0.00000000
     68    -2.67090113     0.00000000     0.00000000     0.00010600    -0.00000031
     69     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     70    -5.92647459     0.00000000     0.00000000     0.00000000     0.00000000
                41             42             43             44             45
      1     0.00000000     0.00000000     0.01588937     0.00000000     0.00000000
      2     0.00000000     0.00000000    -0.01002670     0.00000000     0.00000000
      3     0.00000000     0.00000000     0.00650806     0.00000000     0.00000000
      4     0.00000000     0.00000000    -0.02325327     0.00000000     0.00000000
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                46             47             48             49             50
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                51             52             53             54             55
      1     0.00000000     0.00000000     0.00000000     0.00000000    -0.41043685
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     39     0.00000000     0.00000000     0.00000000     0.00000000     0.20676856
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     41     0.00000000     0.00000000     0.00249657     0.03942372     0.00000000
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     43     0.00000000     0.00000000    -0.09302673     0.00589106     0.00000000
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     49    -0.00000498     0.00684447     0.00000000     0.00000000     0.28284863
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     52     0.00000498    -0.00684447     0.00000000     0.00000000     0.28284863
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                56             57             58             59             60
      1     0.00000000     0.00000000     0.00000000     0.00000000     0.79015760
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     21    -0.00396616     0.00002038     0.00000000     0.00000000     0.00000000
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     30    -0.00003298     0.00000017     0.00000000     0.00000000     0.00000000
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     32     0.00000000     0.00000000    -0.01049181     0.02589696     0.00000000
     33    -0.00000015    -0.00002856     0.00000000     0.00000000     0.08741392
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     36     0.00000000     0.00000000     0.00000000     0.00000000    -0.43792485
     37     0.00000000     0.00000000     0.00000000     0.00000000     0.16537530
     38     0.00000000     0.00000000     0.00000000     0.00000000     0.26226807
     39     0.00000000     0.00000000     0.00000000     0.00000000     0.06810765
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     41     0.00000000     0.00000000     0.00240857    -0.00594509     0.00000000
     42     0.00000000     0.00000000     0.00000000     0.00000000     0.18649971
     43     0.00000000     0.00000000     0.01402256     0.00568106     0.00000000
     44     0.00000000     0.00000000    -0.00568106     0.01402256     0.00000000
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     46     0.00000000     0.00000000    -0.00363827    -0.00147399     0.00000000
     47     0.00000000     0.00000000     0.00147399    -0.00363827     0.00000000
     48     0.00000000     0.00000000     0.00000000     0.00000000     0.13056684
     49     0.00544290     1.05946576     0.00000000     0.00000000    -0.54236079
     50    -1.22336568     0.00628493     0.00000000     0.00000000     0.00000000
     51     0.00000000     0.00000000    -1.12724589    -0.45668877     0.00000000
     52    -0.00544290    -1.05946576     0.00000000     0.00000000    -0.54236079
     53     0.00000000     0.00000000     0.45668877    -1.12724589     0.00000000
     54     0.00000000     0.00000000     0.00000000     0.00000000     1.06199501
     55    -0.00263985    -0.51384853     0.00000000     0.00000000     0.25402097
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     59     0.00000000     0.00000000    -0.22163466     0.54706131     0.00000000
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     62     0.00000000     0.00000000     0.00085281    -0.00210498     0.00000000
     63    -0.00000010    -0.00002025     0.00000000     0.00000000     0.07484655
     64     0.00000000     0.00000000    -0.00210498    -0.00085281     0.00000000
     65     0.00002338    -0.00000012     0.00000000     0.00000000     0.00000000
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     67     0.00000000     0.00000000     0.00190693    -0.00470689     0.00000000
     68     0.00000010     0.00002025     0.00000000     0.00000000     0.07484655
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     70     0.00000000     0.00000000     0.00000000     0.00000000     0.18106617
                61             62             63             64             65
      1    14.18028758     0.00000000     0.00000000     4.22339854    -0.76915554
      2    -3.20646275     0.00000000     0.00000000    -0.87856040     0.14319243
      3    -9.37069435     0.00000000     0.00000000    -2.89918067     0.60805420
      4    -3.75729495     0.00000000     0.00000000    -1.07273172     0.12799676
      5     0.00000000     0.00153940    -1.33501134     0.00000000     0.00000000
      6     0.00000000     1.33501134     0.00153940     0.00000000     0.00000000
      7     0.02742081     0.00000000     0.00000000    -0.37944687    -1.44903340
      8     0.00000000    -0.01018368     8.83157324     0.00000000    -0.00000000
      9     0.00000000    -8.83157324    -0.01018368     0.00000000     0.00000000
     10    -0.16197047     0.00000000     0.00000000     2.32555684     9.19414841
     11     0.00000000     0.00075116    -0.65142539     0.00000000     0.00000000
     12     0.00000000     0.65142539     0.00075116     0.00000000     0.00000000
     13     0.01505372     0.00000000     0.00000000    -0.19780689    -0.73096437
     14    -0.55952185     0.00000000     0.00000000    -0.20889623     0.02832768
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16     0.00000000     0.00000274    -0.00237820     0.00000000     0.00000000
     17    -0.55952185     0.00000000     0.00000000    -0.20889623     0.02832768
     18     0.00000000     0.00237820     0.00000274     0.00000000     0.00000000
     19    -0.57186100     0.00000000     0.00000000    -0.14134751     0.03890451
     20     0.92358912     0.00000000     0.00000000     0.32120788    -0.06153475
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00000000    -0.00000233     0.00201859     0.00000000     0.00000000
     23     0.92358912     0.00000000     0.00000000     0.32120788    -0.06153475
     24     0.00000000    -0.00201859    -0.00000233     0.00000000     0.00000000
     25     0.93372146     0.00000000     0.00000000     0.26532537    -0.07114167
     26     0.00000000     0.00571222    -4.95380056     0.00000000     0.00000000
     27     0.00000000     2.21540696     0.00255458     0.00000000     0.00000000
     28     0.03775325     0.00000000     0.00000000    -0.56348639    -2.28384716
     29     0.00000000     0.00255458    -2.21540696     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.00000000     0.00255382    -2.21474871     0.00000000     0.00000000
     32     0.00000000     4.95380056     0.00571222     0.00000000     0.00000000
     33     0.03775325     0.00000000     0.00000000    -0.56348639    -2.28384716
     34     0.00000000     2.21474871     0.00255382     0.00000000     0.00000000
     35     0.08903125     0.00000000     0.00000000    -1.28423526    -5.10538054
     36     4.57969903     0.00000000     0.00000000   -13.73219813     3.11124001
     37    -1.10138512     0.00000000     0.00000000     3.06250515    -0.64744969
     38    -2.91521810     0.00000000     0.00000000     9.11929766    -2.08664938
     39    -1.26643757     0.00000000     0.00000000     3.62195931    -0.75505501
     40     0.00000000     0.00031055    -0.26932067     0.00000000     0.00000000
     41     0.00000000     0.26932067     0.00031055     0.00000000     0.00000000
     42    -0.09043003     0.00000000     0.00000000    -0.07474443     0.04649096
     43     0.00000000    -0.00220487     1.91212964     0.00000000     0.00000000
     44     0.00000000    -1.91212964    -0.00220487     0.00000000     0.00000000
     45     0.51159020     0.00000000     0.00000000     0.38623813    -0.60414913
     46     0.00000000     0.00014346    -0.12441371     0.00000000     0.00000000
     47     0.00000000     0.12441371     0.00014346     0.00000000     0.00000000
     48    -0.04980439     0.00000000     0.00000000    -0.05212677    -0.04173847
     49    -0.14673589     0.00000000     0.00000000     0.56917809    -0.11776045
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51     0.00000000    -0.00001588     0.01377419     0.00000000     0.00000000
     52    -0.14673589     0.00000000     0.00000000     0.56917809    -0.11776045
     53     0.00000000    -0.01377419    -0.00001588     0.00000000     0.00000000
     54    -0.20754561     0.00000000     0.00000000     0.52386069    -0.20868963
     55     0.25653855     0.00000000     0.00000000    -0.91859104     0.17422128
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.00000000     0.00001326    -0.01150003     0.00000000     0.00000000
     58     0.25653855     0.00000000     0.00000000    -0.91859104     0.17422128
     59     0.00000000     0.01150003     0.00001326     0.00000000     0.00000000
     60     0.30533062     0.00000000     0.00000000    -0.88041242     0.25574786
     61     0.00000000     0.00125761    -1.09063875     0.00000000    -0.00000000
     62     0.00000000     0.48774848     0.00056242     0.00000000     0.00000000
     63    -0.11505190     0.00000000     0.00000000    -0.08402390     0.18320731
     64     0.00000000     0.00056242    -0.48774848     0.00000000    -0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66     0.00000000     0.00055835    -0.48421595     0.00000000    -0.00000000
     67     0.00000000     1.09063875     0.00125761     0.00000000    -0.00000000
     68    -0.11505190     0.00000000     0.00000000    -0.08402390     0.18320731
     69     0.00000000     0.48421595     0.00055835     0.00000000     0.00000000
     70    -0.27935739     0.00000000     0.00000000    -0.20313837     0.38246422
                66             67             68             69             70
      1     0.00000000     0.00000000     0.63289420    55.05400634    53.45037711
      2     0.00000000     0.00000000    -0.08919555   -26.74907162   -25.81433207
      3     0.00000000     0.00000000    -0.46094104   -32.31780523   -31.71487533
      4     0.00000000     0.00000000    -0.08676865   -15.55144623   -14.90470182
      5     0.07817601     0.34233331     0.00000000     0.00000000     0.00000000
      6    -0.34233331     0.07817601     0.00000000     0.00000000     0.00000000
      7     0.00000000     0.00000000     0.25853424     0.02195913     0.00254391
      8    -0.48887763    -2.14079859     0.00000000     0.00000000     0.00000000
      9     2.14079859    -0.48887763     0.00000000     0.00000000     0.00000000
     10     0.00000000    -0.00000000    -1.32412383    -0.07143509    -0.02124105
     11     0.04009527     0.17557748     0.00000000     0.00000000     0.00000000
     12    -0.17557748     0.04009527     0.00000000     0.00000000     0.00000000
     13     0.00000000     0.00000000     0.19833489     0.02703011     0.00030885
     14     0.00000000     0.00000000    -0.01583710     3.58558538     3.44050385
     15     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     16    -0.00298676    -0.01307903     0.00000000     0.00000000     0.00000000
     17     0.00000000     0.00000000    -0.01583710     3.58558538     3.44050385
     18     0.01307903    -0.00298676     0.00000000     0.00000000     0.00000000
     19     0.00000000     0.00000000    -0.11298751     3.55490121     3.47232827
     20     0.00000000     0.00000000     0.01161917     3.28199708     3.29139749
     21     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     22     0.00254218     0.01113222     0.00000000     0.00000000     0.00000000
     23     0.00000000     0.00000000     0.01161917     3.28199708     3.29139749
     24    -0.01113222     0.00254218     0.00000000     0.00000000     0.00000000
     25     0.00000000     0.00000000     0.09998885     3.32952524     3.24342831
     26     0.26995941     1.18215414     0.00000000     0.00000000     0.00000000
     27    -0.52867541     0.12072952     0.00000000     0.00000000     0.00000000
     28     0.00000000     0.00000000     0.29401091     0.00325838     0.01569850
     29     0.12072952     0.52867541     0.00000000     0.00000000     0.00000000
     30     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     31     0.12151722     0.53212477     0.00000000     0.00000000     0.00000000
     32    -1.18215414     0.26995941     0.00000000     0.00000000     0.00000000
     33     0.00000000     0.00000000     0.29401091     0.00325838     0.01569850
     34    -0.53212477     0.12151722     0.00000000     0.00000000     0.00000000
     35     0.00000000     0.00000000     0.68676397     0.02888599     0.01133914
     36     0.00000000    -0.00000000    -0.54955679    52.77936159   -55.70104989
     37     0.00000000     0.00000000     0.09654108   -25.64980361    26.90729101
     38     0.00000000     0.00000000     0.44835358   -30.96766592    33.03505905
     39     0.00000000     0.00000000     0.06517189   -14.91713972    15.54076018
     40    -0.29730730    -1.30191075     0.00000000     0.00000000     0.00000000
     41     1.30191075    -0.29730730     0.00000000     0.00000000     0.00000000
     42     0.00000000     0.00000000     1.49565717    -0.02186886     0.00348678
     43     1.96851582     8.62014466     0.00000000     0.00000000     0.00000000
     44    -8.62014466     1.96851582     0.00000000     0.00000000     0.00000000
     45     0.00000000     0.00000000    -9.47833247     0.07058103    -0.02435244
     46    -0.14678628    -0.64277816     0.00000000     0.00000000     0.00000000
     47     0.64277816    -0.14678628     0.00000000     0.00000000     0.00000000
     48     0.00000000     0.00000000     0.77277793    -0.02702176     0.00144815
     49     0.00000000     0.00000000     0.01101380     3.43896669    -3.58687902
     50     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     51    -0.00087491    -0.00383124     0.00000000     0.00000000     0.00000000
     52     0.00000000     0.00000000     0.01101380     3.43896669    -3.58687902
     53     0.00383124    -0.00087491     0.00000000     0.00000000     0.00000000
     54     0.00000000     0.00000000     0.05198118     3.40693829    -3.61743382
     55     0.00000000     0.00000000    -0.03295286     3.14165236    -3.42513577
     56     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     57     0.00073434     0.00321569     0.00000000     0.00000000     0.00000000
     58     0.00000000     0.00000000    -0.03295286     3.14165236    -3.42513577
     59    -0.00321569     0.00073434     0.00000000     0.00000000     0.00000000
     60     0.00000000     0.00000000    -0.06910028     3.19116963    -3.37916714
     61    -1.10296686    -4.82989967     0.00000000     0.00000000     0.00000000
     62     2.15999680    -0.49326178     0.00000000     0.00000000     0.00000000
     63     0.00000000     0.00000000     2.34667629    -0.00261228     0.01585867
     64    -0.49326178    -2.15999680     0.00000000     0.00000000     0.00000000
     65     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     66    -0.49348051    -2.16095462     0.00000000     0.00000000     0.00000000
     67     4.82989967    -1.10296686     0.00000000     0.00000000     0.00000000
     68     0.00000000     0.00000000     2.34667629    -0.00261228     0.01585867
     69     2.16095462    -0.49348051     0.00000000     0.00000000     0.00000000
     70     0.00000000     0.00000000     5.25586255    -0.02842479     0.01261039

           ---------------------------------------
                  UHF spin-up   orbital energies  
           ---------------------------------------
                 1
      1    -0.49988191
      2     0.04891688
      3     0.25373552
      4     0.35898946
      5     0.42514653
      6     0.47011368
      7     0.47011368
      8     0.55322306
      9     0.55322306
     10     0.69261567
     11     1.11022153
     12     1.23169673
     13     1.81484198
     14     1.81484198
     15     1.82519237
     16     1.90264907
     17     1.90264907
     18     1.91462570
     19     2.06803241
     20     2.06803241
     21     2.07113210
     22     2.07113210
     23     2.09362979
     24     2.11272972
     25     2.11272972
     26     2.11734954
     27     2.11734954
     28     2.28436543
     29     3.05487159
     30     3.15295219
     31     4.42371699
     32     4.42371699
     33     4.49063383
     34     4.49063383
     35     4.49697795
     36     4.56918338
     37     6.05479501
     38     6.05479501
     39     6.05479566
     40     6.05479566
     41     6.05498017
     42     6.05498017
     43     6.05961223
     44     6.08642821
     45     6.08642821
     46     6.08643570
     47     6.08643570
     48     6.08659368
     49     6.08659368
     50     6.09133601
     51     8.12054259
     52     8.12054259
     53     8.12062731
     54     8.12062731
     55     8.12328998
     56     8.16460114
     57     8.16460114
     58     8.16570372
     59     8.16570372
     60     8.20580249
     61     9.63819356
     62     9.69876086
     63     9.69876086
     64     9.71192580
     65     9.74172345
     66     9.74659781
     67     9.74659781
     68     9.78357943
     69    22.33914230
     70    22.62482055

           ---------------------------------------
                  UHF spin-down orbital energies  
           ---------------------------------------
                 1
      1    -0.49988191
      2     0.04891688
      3     0.25373552
      4     0.35898946
      5     0.42514653
      6     0.47011368
      7     0.47011368
      8     0.55322306
      9     0.55322306
     10     0.69261567
     11     1.11022153
     12     1.23169673
     13     1.81484198
     14     1.81484198
     15     1.82519237
     16     1.90264907
     17     1.90264907
     18     1.91462570
     19     2.06803241
     20     2.06803241
     21     2.07113210
     22     2.07113210
     23     2.09362979
     24     2.11272972
     25     2.11272972
     26     2.11734954
     27     2.11734954
     28     2.28436543
     29     3.05487159
     30     3.15295219
     31     4.42371699
     32     4.42371699
     33     4.49063383
     34     4.49063383
     35     4.49697795
     36     4.56918338
     37     6.05479501
     38     6.05479501
     39     6.05479566
     40     6.05479566
     41     6.05498017
     42     6.05498017
     43     6.05961223
     44     6.08642821
     45     6.08642821
     46     6.08643570
     47     6.08643570
     48     6.08659368
     49     6.08659368
     50     6.09133601
     51     8.12054259
     52     8.12054259
     53     8.12062731
     54     8.12062731
     55     8.12328998
     56     8.16460114
     57     8.16460114
     58     8.16570372
     59     8.16570372
     60     8.20580249
     61     9.63819356
     62     9.69876086
     63     9.69876086
     64     9.71192580
     65     9.74172345
     66     9.74659781
     67     9.74659781
     68     9.78357943
     69    22.33914230
     70    22.62482055

                                        Total CPU time for UHF =      1.664 seconds


 AO to MO transformation... Please be patient

                    Total CPU time for AO to MO transformation =     15.852 seconds


 ************************************************
 |          One-shot G0W0 calculation           |
 |         *** Unrestricted version ***         |
 ************************************************

 Tamm-Dancoff approximation activated!


 -------------------------------------------------------------
   RPA@UHF      calculation: spin-conserved manifold
 -------------------------------------------------------------
 | State |  Excitation energy (au) |  Excitation energy (eV) |
 -------------------------------------------------------------
 |     1 |                0.552225 |               15.026805 |
 |     2 |                0.554049 |               15.076443 |
 |     3 |                0.797190 |               21.692654 |
 |     4 |                0.798856 |               21.737981 |
 |     5 |                0.859606 |               23.391067 |
 |     6 |                0.859837 |               23.397357 |
 |     7 |                0.953507 |               25.946242 |
 |     8 |                0.971780 |               26.443480 |
 |     9 |                1.011881 |               27.534689 |
 |    10 |                1.011881 |               27.534689 |
 |    11 |                1.023762 |               27.857980 |
 |    12 |                1.023762 |               27.857980 |
 |    13 |                1.068545 |               29.076580 |
 |    14 |                1.068545 |               29.076580 |
 |    15 |                1.069821 |               29.111305 |
 |    16 |                1.069821 |               29.111305 |
 |    17 |                1.220855 |               33.221155 |
 |    18 |                1.221714 |               33.244522 |
 |    19 |                1.668159 |               45.392911 |
 |    20 |                1.671842 |               45.493149 |
 -------------------------------------------------------------

  *** Quasiparticle energies obtained by linearization *** 

 --------------------------------------------------------------------------------------------------------------------------------
   Unrestricted one-shot G0W0 calculation (eV)
 --------------------------------------------------------------------------------------------------------------------------------
|   |              e_HF            |             Sig_c            |                 Z            |              e_QP            |
|  #|        up             dw     |        up             dw     |        up             dw     |        up             dw     |
 --------------------------------------------------------------------------------------------------------------------------------
|  1|     -13.602480     -13.602480|       0.043392       0.043392|       0.962504       0.962504|     -13.560714     -13.560714|
|  2|       1.331096       1.331096|      -0.791618      -0.791618|       0.980826       0.980826|       0.554657       0.554657|
|  3|       6.904495       6.904495|      -0.167471      -0.167471|       0.993593       0.993593|       6.738097       6.738097|
|  4|       9.768601       9.768601|      -0.997435      -0.997435|       0.967660       0.967660|       8.803423       8.803423|
|  5|      11.568826      11.568826|      -0.428115      -0.428115|       0.983362       0.983362|      11.147835      11.147835|
|  6|      12.792445      12.792445|      -0.326750      -0.326750|       0.988861       0.988861|      12.469334      12.469334|
|  7|      12.792445      12.792445|      -0.326750      -0.326750|       0.988861       0.988861|      12.469334      12.469334|
|  8|      15.053966      15.053966|      -0.581599      -0.581599|       0.977694       0.977694|      14.485341      14.485341|
|  9|      15.053966      15.053966|      -0.581599      -0.581599|       0.977694       0.977694|      14.485341      14.485341|
| 10|      18.847032      18.847032|      -0.640554      -0.640554|       0.965001       0.965001|      18.228897      18.228897|
| 11|      30.210667      30.210667|      -0.657006      -0.657006|       0.610520       0.610520|      29.809551      29.809551|
| 12|      33.516175      33.516175|      -0.281207      -0.281207|       0.453835       0.453835|      33.388554      33.388554|
| 13|      49.384366      49.384366|      -0.840497      -0.840497|       0.930828       0.930828|      48.602008      48.602008|
| 14|      49.384366      49.384366|      -0.840497      -0.840497|       0.930828       0.930828|      48.602008      48.602008|
| 15|      49.666014      49.666014|      -0.726591      -0.726591|       0.871947       0.871947|      49.032466      49.032466|
| 16|      51.773718      51.773718|      -1.068738      -1.068738|       0.928300       0.928300|      50.781608      50.781608|
| 17|      51.773718      51.773718|      -1.068738      -1.068738|       0.928300       0.928300|      50.781608      50.781608|
| 18|      52.099619      52.099619|      -0.171822      -0.171822|       0.344957       0.344957|      52.040348      52.040348|
| 19|      56.274028      56.274028|      -0.584833      -0.584833|       0.953482       0.953482|      55.716400      55.716400|
| 20|      56.274028      56.274028|      -0.584833      -0.584833|       0.953482       0.953482|      55.716400      55.716400|
| 21|      56.358375      56.358375|      -0.555782      -0.555782|       0.935202       0.935202|      55.838607      55.838607|
| 22|      56.358375      56.358375|      -0.555782      -0.555782|       0.935202       0.935202|      55.838607      55.838607|
| 23|      56.970568      56.970568|      -0.824777      -0.824777|       0.355183       0.355183|      56.677622      56.677622|
| 24|      57.490304      57.490304|      -0.685094      -0.685094|       0.948787       0.948787|      56.840296      56.840296|
| 25|      57.490304      57.490304|      -0.685094      -0.685094|       0.948787       0.948787|      56.840296      56.840296|
| 26|      57.616016      57.616016|      -0.683517      -0.683517|       0.839487       0.839487|      57.042212      57.042212|
| 27|      57.616016      57.616016|      -0.683517      -0.683517|       0.839487       0.839487|      57.042212      57.042212|
| 28|      62.160749      62.160749|      -1.156905      -1.156905|       0.793891       0.793891|      61.242294      61.242294|
| 29|      83.127290      83.127290|       1.359403       1.359403|       0.095351       0.095351|      83.256910      83.256910|
| 30|      85.796199      85.796199|       0.541872       0.541872|       0.365490       0.365490|      85.994248      85.994248|
| 31|     120.375471     120.375471|      -0.770396      -0.770396|       0.671464       0.671464|     119.858177     119.858177|
| 32|     120.375471     120.375471|      -0.770396      -0.770396|       0.671464       0.671464|     119.858177     119.858177|
| 33|     122.196370     122.196370|      -0.788796      -0.788796|       0.862367       0.862367|     121.516138     121.516138|
| 34|     122.196370     122.196370|      -0.788796      -0.788796|       0.862367       0.862367|     121.516138     121.516138|
| 35|     122.369003     122.369003|      -0.581914      -0.581914|       0.869421       0.869421|     121.863074     121.863074|
| 36|     124.333813     124.333813|      -0.673560      -0.673560|       0.895111       0.895111|     123.730902     123.730902|
| 37|     164.759364     164.759364|      -0.800892      -0.800892|       0.957838       0.957838|     163.992239     163.992239|
| 38|     164.759364     164.759364|      -0.800892      -0.800892|       0.957838       0.957838|     163.992239     163.992239|
| 39|     164.759382     164.759382|      -0.798383      -0.798383|       0.957724       0.957724|     163.994752     163.994752|
| 40|     164.759382     164.759382|      -0.798383      -0.798383|       0.957724       0.957724|     163.994752     163.994752|
| 41|     164.764403     164.764403|      -0.791864      -0.791864|       0.956623       0.956623|     164.006888     164.006888|
| 42|     164.764403     164.764403|      -0.791864      -0.791864|       0.956623       0.956623|     164.006888     164.006888|
| 43|     164.890447     164.890447|      -0.786692      -0.786692|       0.955508       0.955508|     164.138756     164.138756|
| 44|     165.620148     165.620148|      -0.836641      -0.836641|       0.955617       0.955617|     164.820639     164.820639|
| 45|     165.620148     165.620148|      -0.836641      -0.836641|       0.955617       0.955617|     164.820639     164.820639|
| 46|     165.620351     165.620351|      -0.839156      -0.839156|       0.955738       0.955738|     164.818338     164.818338|
| 47|     165.620351     165.620351|      -0.839156      -0.839156|       0.955738       0.955738|     164.818338     164.818338|
| 48|     165.624650     165.624650|      -0.831317      -0.831317|       0.947247       0.947247|     164.837188     164.837188|
| 49|     165.624650     165.624650|      -0.831317      -0.831317|       0.947247       0.947247|     164.837188     164.837188|
| 50|     165.753696     165.753696|      -0.830173      -0.830173|       0.952030       0.952030|     164.963347     164.963347|
| 51|     220.971219     220.971219|      -2.253917      -2.253917|       0.866659       0.866659|     219.017843     219.017843|
| 52|     220.971219     220.971219|      -2.253917      -2.253917|       0.866659       0.866659|     219.017843     219.017843|
| 53|     220.973524     220.973524|      -2.206104      -2.206104|       0.864960       0.864960|     219.065332     219.065332|
| 54|     220.973524     220.973524|      -2.206104      -2.206104|       0.864960       0.864960|     219.065332     219.065332|
| 55|     221.045979     221.045979|      -2.161556      -2.161556|       0.856331       0.856331|     219.194972     219.194972|
| 56|     222.170113     222.170113|      -2.347876      -2.347876|       0.860108       0.860108|     220.150687     220.150687|
| 57|     222.170113     222.170113|      -2.347876      -2.347876|       0.860108       0.860108|     220.150687     220.150687|
| 58|     222.200116     222.200116|      -2.305332      -2.305332|       0.860205       0.860205|     220.217059     220.217059|
| 59|     222.200116     222.200116|      -2.305332      -2.305332|       0.860205       0.860205|     220.217059     220.217059|
| 60|     223.291259     223.291259|      -2.397019      -2.397019|       0.811317       0.811317|     221.346517     221.346517|
| 61|     262.268605     262.268605|      -2.806046      -2.806046|       0.751575       0.751575|     260.159650     260.159650|
| 62|     263.916726     263.916726|      -1.737850      -1.737850|       0.921043       0.921043|     262.316091     262.316091|
| 63|     263.916726     263.916726|      -1.737850      -1.737850|       0.921043       0.921043|     262.316091     262.316091|
| 64|     264.274962     264.274962|      -2.909967      -2.909967|       0.841974       0.841974|     261.824845     261.824845|
| 65|     265.085797     265.085797|      -1.822631      -1.822631|       0.893027       0.893027|     263.458138     263.458138|
| 66|     265.218435     265.218435|      -1.821861      -1.821861|       0.913770       0.913770|     263.553674     263.553674|
| 67|     265.218435     265.218435|      -1.821861      -1.821861|       0.913770       0.913770|     263.553674     263.553674|
| 68|     266.224756     266.224756|      -2.060918      -2.060918|       0.483536       0.483536|     265.228228     265.228228|
| 69|     607.879024     607.879024|      -0.899976      -0.899976|       0.970153       0.970153|     607.005910     607.005910|
| 70|     615.652726     615.652726|      -1.269265      -1.269265|       0.935933       0.935933|     614.464779     614.464779|
 --------------------------------------------------------------------------------------------------------------------------------
         UG0W0 HOMO      energy:     -13.560714 eV
         UG0W0 LUMO      energy:       0.554657 eV
         UG0W0 HOMO-LUMO gap   :      14.115371 eV
 --------------------------------------------------------------------------------------------------------------------------------
   RPA@UG0W0 total energy      :      -1.028652 au
   RPA@UG0W0 correlation energy:      -0.028515 au
    GM@UG0W0 total energy      :      -1.054603 au
    GM@UG0W0 correlation energy:      -0.054466 au
 --------------------------------------------------------------------------------------------------------------------------------


 -------------------------------------------------------------
   BSE@UGW  ��� calculation: spin-conserved manifold
 -------------------------------------------------------------
 | State |  Excitation energy (au) |  Excitation energy (eV) |
 -------------------------------------------------------------
 |     1 |                0.332499 |                9.047770 |
 |     2 |                0.334353 |                9.098200 |
 |     3 |                0.482860 |               13.139299 |
 |     4 |                0.487477 |               13.264915 |
 |     5 |                0.586456 |               15.958276 |
 |     6 |                0.599647 |               16.317218 |
 |     7 |                0.599647 |               16.317218 |
 |     8 |                0.604630 |               16.452810 |
 |     9 |                0.612039 |               16.654430 |
 |    10 |                0.612039 |               16.654430 |
 |    11 |                0.659289 |               17.940167 |
 |    12 |                0.660827 |               17.982025 |
 |    13 |                0.845449 |               23.005827 |
 |    14 |                0.845449 |               23.005827 |
 |    15 |                0.846406 |               23.031880 |
 |    16 |                0.846406 |               23.031880 |
 |    17 |                0.922709 |               25.108181 |
 |    18 |                0.926822 |               25.220116 |
 |    19 |                1.237585 |               33.676395 |
 |    20 |                1.238954 |               33.713663 |
 -------------------------------------------------------------

 ---------------------------------------------------------------
                 Transition dipole moment (au)                  
 ---------------------------------------------------------------
  #           X           Y           Z   dip. str.   osc. str.
 ---------------------------------------------------------------
  1   -0.000000   -0.000000   -0.000000    0.000000    0.000000
  2   -0.000000    0.000000    0.646732    0.418263    0.093231
  3   -0.000000   -0.000000   -0.437380    0.191301    0.061581
  4   -0.000000    0.000000    0.000000    0.000000    0.000000
  5    0.000000   -0.000000   -1.084786    1.176762    0.460079
  6   -0.000000   -0.000000   -0.000000    0.000000    0.000000
  7   -0.000000    0.000000    0.000000    0.000000    0.000000
  8    0.000000   -0.000000   -0.000000    0.000000    0.000000
  9   -0.141598    1.329870    0.000000    1.788603    0.729796
 10   -1.329870   -0.141598   -0.000000    1.788603    0.729796
 11    0.000000    0.000000   -0.178398    0.031826    0.013988
 12   -0.000000    0.000000    0.000000    0.000000    0.000000
 13    0.006882   -0.015829    0.000000    0.000298    0.000168
 14   -0.015829   -0.006882    0.000000    0.000298    0.000168
 15    0.000000   -0.000000   -0.000000    0.000000    0.000000
 16    0.000000    0.000000    0.000000    0.000000    0.000000
 17    0.000000    0.000000    0.000000    0.000000    0.000000
 18   -0.000000   -0.000000    0.262311    0.068807    0.042515
 19   -0.000000    0.000000   -0.000999    0.000001    0.000001
 20    0.000000    0.000000    0.000000    0.000000    0.000000
 ---------------------------------------------------------------

 -------------------------------------------------------------
 Excitation n.   1:   9.047770 eV  f = 0.0000  <S**2> = 0.2146
 -------------------------------------------------------------
  1A ->   2A =   0.699094
  1B ->   2B =   0.699094

 -------------------------------------------------------------
 Excitation n.   2:   9.098200 eV  f = 0.0932  <S**2> = 0.2298
 -------------------------------------------------------------
  1A ->   2A =   0.699026
  1B ->   2B =  -0.699026

 -------------------------------------------------------------
 Excitation n.   3:  13.139299 eV  f = 0.0616  <S**2> = 0.9950
 -------------------------------------------------------------
  1A ->   3A =   0.697336
  1A ->   5A =   0.105522
  1B ->   3B =   0.697336
  1B ->   5B =   0.105522

 -------------------------------------------------------------
 Excitation n.   4:  13.264915 eV  f = 0.0000  <S**2> = 0.9962
 -------------------------------------------------------------
  1A ->   3A =  -0.700130
  1B ->   3B =   0.700130

 -------------------------------------------------------------
 Excitation n.   5:  15.958276 eV  f = 0.4601  <S**2> = 0.9627
 -------------------------------------------------------------
  1A ->   4A =   0.248868
  1A ->   5A =   0.626760
  1A ->  10A =   0.166490
  1B ->   4B =   0.248868
  1B ->   5B =   0.626760
  1B ->  10B =  -0.166490

 -------------------------------------------------------------
 Excitation n.   6:  16.317218 eV  f = 0.0000  <S**2> = 1.0182
 -------------------------------------------------------------
  1A ->   6A =   0.610020
  1A ->   7A =  -0.320005
  1A ->   8A =   0.156904
  1B ->   6B =  -0.368680
  1B ->   7B =  -0.581896
  1B ->   8B =  -0.133608

 -------------------------------------------------------------
 Excitation n.   7:  16.317218 eV  f = 0.0000  <S**2> = 1.0182
 -------------------------------------------------------------
  1A ->   6A =  -0.320005
  1A ->   7A =  -0.610020
  1A ->   9A =   0.156904
  1B ->   6B =   0.581896
  1B ->   7B =  -0.368680
  1B ->   9B =   0.133608

 -------------------------------------------------------------
 Excitation n.   8:  16.452810 eV  f = 0.0000  <S**2> = 0.8525
 -------------------------------------------------------------
  1A ->   4A =   0.305374
  1A ->   5A =   0.609353
  1A ->  10A =   0.166400
  1B ->   4B =  -0.305374
  1B ->   5B =  -0.609353
  1B ->  10B =   0.166400

 -------------------------------------------------------------
 Excitation n.   9:  16.654430 eV  f = 0.7298  <S**2> = 0.9860
 -------------------------------------------------------------
  1A ->   6A =   0.640206
  1A ->   7A =  -0.243325
  1A ->   8A =   0.173885
  1B ->   6B =   0.433127
  1B ->   7B =   0.530539
  1B ->   8B =   0.157581

 -------------------------------------------------------------
 Excitation n.  10:  16.654430 eV  f = 0.7298  <S**2> = 0.9860
 -------------------------------------------------------------
  1A ->   6A =   0.243325
  1A ->   7A =   0.640206
  1A ->   9A =  -0.173885
  1B ->   6B =   0.530539
  1B ->   7B =  -0.433127
  1B ->   9B =   0.157581

 -------------------------------------------------------------
 Excitation n.  11:  17.940167 eV  f = 0.0140  <S**2> = 0.8980
 -------------------------------------------------------------
  1A ->   4A =  -0.660224
  1A ->   5A =   0.242576
  1B ->   4B =  -0.660224
  1B ->   5B =   0.242576

 -------------------------------------------------------------
 Excitation n.  12:  17.982025 eV  f = 0.0000  <S**2> = 0.9029
 -------------------------------------------------------------
  1A ->   4A =   0.635560
  1A ->   5A =  -0.301176
  1B ->   4B =  -0.635560
  1B ->   5B =   0.301176

 -------------------------------------------------------------
 Excitation n.  13:  23.005827 eV  f = 0.0002  <S**2> = 1.0138
 -------------------------------------------------------------
  1A ->   6A =   0.174072
  1A ->   8A =  -0.646146
  1A ->   9A =   0.227925
  1B ->   6B =   0.145661
  1B ->   8B =  -0.679047

 -------------------------------------------------------------
 Excitation n.  14:  23.005827 eV  f = 0.0002  <S**2> = 1.0138
 -------------------------------------------------------------
  1A ->   7A =  -0.174072
  1A ->   8A =  -0.227925
  1A ->   9A =  -0.646146
  1B ->   7B =   0.145661
  1B ->   9B =   0.679047

 -------------------------------------------------------------
 Excitation n.  15:  23.031880 eV  f = 0.0000  <S**2> = 0.9820
 -------------------------------------------------------------
  1A ->   6A =   0.156798
  1A ->   8A =  -0.661135
  1A ->   9A =   0.194634
  1B ->   6B =  -0.127039
  1B ->   8B =   0.677229
  1B ->   9B =  -0.127840

 -------------------------------------------------------------
 Excitation n.  16:  23.031880 eV  f = 0.0000  <S**2> = 0.9820
 -------------------------------------------------------------
  1A ->   7A =   0.156798
  1A ->   8A =   0.194634
  1A ->   9A =   0.661135
  1B ->   7B =   0.127039
  1B ->   8B =   0.127840
  1B ->   9B =   0.677229

 -------------------------------------------------------------
 Excitation n.  17:  25.108181 eV  f = 0.0000  <S**2> = 1.0610
 -------------------------------------------------------------
  1A ->   5A =  -0.164275
  1A ->  10A =   0.684037
  1B ->   5B =   0.164275
  1B ->  10B =   0.684037

 -------------------------------------------------------------
 Excitation n.  18:  25.220116 eV  f = 0.0425  <S**2> = 0.9288
 -------------------------------------------------------------
  1A ->   5A =   0.164122
  1A ->  10A =  -0.684454
  1B ->   5B =   0.164122
  1B ->  10B =   0.684454

 -------------------------------------------------------------
 Excitation n.  19:  33.676395 eV  f = 0.0000  <S**2> = 1.0236
 -------------------------------------------------------------
  1A ->  11A =   0.689979
  1A ->  12A =  -0.144464
  1B ->  11B =  -0.689979
  1B ->  12B =   0.144464

 -------------------------------------------------------------
 Excitation n.  20:  33.713663 eV  f = 0.0000  <S**2> = 0.9780
 -------------------------------------------------------------
  1A ->  11A =   0.688162
  1A ->  12A =  -0.152989
  1B ->  11B =   0.688162
  1B ->  12B =  -0.152989

Thomas-Reiche-Kuhn sum rule =   2.131324


 -------------------------------------------------------------------------------
  Tr@BSE@UG0W0 correlation energy (spin-conserved) =       -0.0000000000
  Tr@BSE@UG0W0 correlation energy (spin-flip)      =        0.0000000000
  Tr@BSE@UG0W0 correlation energy                  =       -0.0000000000
  Tr@BSE@UG0W0 total energy                        =       -1.0001367014
 -------------------------------------------------------------------------------

                                       Total CPU time for G0W0 =      0.520 seconds

                                      Total CPU time for QuAcK =     19.107 seconds