
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
  GGA BP86
end

atoms
      1         O     -7.463888      3.048325      3.395183
      2         O     -4.787840      8.380171      3.016923
      3        Mo     -3.613608      3.969781      3.844200
      4         H     -1.083501      1.832575      6.885308
      5         O     -3.604160      0.163141      1.247384
      6         O     -6.070065      6.839059      4.948198
      7         H     -3.864443      5.620062      1.191068
      8         O     -7.074577     -1.256224     -0.278230
      9         O     -4.090968     10.616172      1.123706
     10        Mo     -2.969631      9.969847      2.302781
     11        Mo     -5.452555     -0.825313      0.230211
     12        Mo     -5.388921      6.724832      3.340600
     13        Mo     -6.129992      2.838653      1.974102
     14         O     -4.422768      6.436852      1.039608
     15         O      0.180784      6.781836      4.869006
     16         O     -1.803129      8.657432      3.936777
     17         O     -4.971929      3.210767      0.373733
     18        Mo     -2.831092      0.620972      2.805706
     19        Mo     -0.563872      3.000700      4.763048
     20         O     -5.142016      0.739593     -0.883976
     21         O      2.700571      0.822538      4.265169
     22         O     -3.583524      6.001518      3.858812
     23         O     -4.526710      2.324598      2.891986
     24         O     -2.349168      2.299954      3.942818
     25         O     -1.260261     -0.213312      2.908552
     26        Mo     -1.483290      6.918955      4.217404
     27         O     -3.858751     -0.274605      3.937235
     28         O     -2.464912      8.400672      1.240981
     29         O     -4.247691      3.689881      5.438859
     30         O      0.322219      2.423006      3.276067
     31         O     -7.017807      6.563990      2.315588
     32         O     -7.250722      4.223933      0.983261
     33         O      1.235873      0.094838      1.947870
     34         O      0.725463      4.289394      5.257719
     35         O     -6.729273      1.289665      1.454993
     36         O     -3.740836     10.629559      3.995002
     37         O     -0.025589      1.098939      5.284648
     38         O      1.023256     -1.378976      4.460456
     39        Mo      1.077342      0.284729      3.906715
     40         O     -1.590781     11.037286      2.207041
     41         O     -5.662069     -1.397656      2.085781
     42         H     -4.405495      9.953310      4.256325
     43         O     -1.726076      4.543928      4.389475
     44         H     -5.015155     -0.996965      2.729845
     45         O     -1.244011      2.760711      6.611033
     46         O     -2.361056      6.748780      6.032928
     47         O     -1.312405      6.413893      2.468862
     48         O     -5.325546      4.615777      3.041324
     49         O     -2.842638      4.252622      1.732372
     50         O     -1.570598      2.073568      1.273551
     51         H     -3.235666      6.325470      5.921841
     52         O     -4.454463     -2.052161     -0.519781
     53         H     -7.348052      3.922759      3.825288
     54         H     -2.050244      2.984801      1.388271
     55         H     -0.757825      2.202479      1.824851
     56         H     -4.920676      1.587199     -0.397845
     57         H     -4.111753      3.609201      0.696965
     58         H     -2.163913      4.974103      1.860108
     59         H     -3.760645      7.182496      1.024605
     60         H     -1.936111      7.671593      1.728502
     61         H      0.323607     -0.101188      1.635231
     62         H      0.542752      5.301649      5.138342
     63         H     -7.098196      5.708652      1.782117
     64         H     -6.703406      4.428624      0.194621
end

charge -5

