
NumericalQuality Good

QTAIM
    Enabled Yes
End

Relativistic Scalar ZORA

SOLVATION
  Surf Delley
  Solv name=Water cav0=0.0 cav1=0.0067639
  Charged method=CONJ
  C-Mat POT
  SCF VAR ALL
  CSMRSP
  Radii
    H=1.30
    O=1.72
    Mo=1.992
    Ta=2.025
    W=1.992
    V=1.908
  SubEnd
end

XC
  HYBRID B3LYP
end

atoms
      1         O      2.412537     -2.862069     -4.023611
      2         O     -0.269505     -3.514278     -4.430873
      3         O      0.438697     -4.850572     -6.810713
      4         O      0.763754     -2.044119     -6.501123
      5         O      2.138535     -5.156556     -4.464420
      6         O      3.064590     -7.816201     -5.327369
      7         O      0.622665     -6.137121     -1.913205
      8         O      0.378208     -7.268409     -4.689358
      9         O      2.014208     -8.569488     -2.801822
     10         O      3.449184     -6.216469     -2.782833
     11         O      4.896353     -4.565770     -4.596001
     12         O      2.371405     -4.145147     -1.495660
     13         O      3.546300    -10.549630     -2.127586
     14         O      0.905477    -10.395463     -0.814243
     15         O      1.493316     -0.215438     -4.063489
     16         O      5.062823     -4.636171     -1.872140
     17         O      7.225136     -3.272949     -0.539055
     18        Mo      3.610792     -4.316155     -3.359264
     19         O      6.431049     -6.439397     -0.101451
     20        Mo      2.425598     -9.465740     -0.761831
     21         O      1.867571     -7.831628     -0.115866
     22         H      1.061711     -6.778259     -1.284767
     23         O      4.446677     -2.490078     -2.875767
     24         O      3.290191    -10.195774      0.617510
     25         H      6.269752     -3.678219     -3.893262
     26         O      6.943046     -0.845670     -1.883699
     27         O      2.369638     -1.176928     -1.541368
     28         O      6.266743     -6.915425     -2.961874
     29         H     -0.723491     -1.774120     -4.689991
     30         H      3.467827     -2.013190     -6.009655
     31         O      4.439510     -8.131554     -1.067270
     32         H      3.428839     -9.991336     -2.925762
     33         O      3.740719     -1.082794     -5.689583
     34         H      3.650771     -4.059645     -6.101386
     35         O      6.972118     -3.176569     -3.397541
     36         O      4.820732     -1.970905     -0.316850
     37         O      3.027356     -3.512971     -6.625920
     38         O      3.558820     -5.802703      0.031344
     39         O      4.154537      0.286278     -3.194165
     40        Mo      5.184359     -6.511665     -1.344413
     41        Mo      6.189390     -2.432908     -1.703734
     42        Mo      2.906683     -0.989862     -3.263654
     43        Mo      1.038222     -3.629816     -5.662888
     44        Mo      2.030377     -7.190195     -4.024073
     45         H      2.264288     -3.179358     -1.337580
     46         H      2.900122     -6.583475     -0.005769
     47         H      3.093813     -5.032772     -0.534959
     48         H      3.955017     -1.756276     -0.756907
     49         H      1.183550     -5.306290     -1.810573
     50         H      5.986945     -6.245227     -3.629276
     51        Mo      0.121288      0.220046     -6.099945
     52         O     -1.096164     -0.873612     -4.894036
     53         O     -0.856174      0.196897     -7.596711
     54         O     -0.305268      1.795171     -5.368422
     55         H      3.008056     -0.501697     -6.066006
     56         O      1.810512      0.484963     -6.723644
end

charge -9

