
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      2.495913     -2.740096     -4.246914
      2         O     -0.049150     -3.132110     -3.823802
      3         O     -0.140429     -4.997250     -6.005807
      4         O      0.229524     -2.222773     -6.414464
      5         O      2.067070     -5.110414     -4.236783
      6         O      3.058801     -7.698636     -5.276080
      7         O      0.856834     -6.191886     -1.908480
      8         O      0.352395     -7.207986     -4.656584
      9         O      2.056413     -8.571235     -2.789985
     10         O      3.635955     -6.211997     -2.864266
     11         O      4.781024     -4.308654     -4.764640
     12         O      2.485462     -4.029393     -1.462986
     13         O      3.573131    -10.549868     -2.059614
     14         O      0.948138    -10.382770     -0.693052
     15         O      1.652612      0.290162     -4.344619
     16         O      5.124331     -4.559431     -2.052030
     17         O      7.114460     -3.484900     -0.431311
     18        Mo      3.642352     -4.233228     -3.412181
     19         O      6.639813     -6.194620     -0.553189
     20        Mo      2.498168     -9.523139     -0.670075
     21         O      2.035072     -7.835521     -0.092160
     22         H      1.246026     -6.819822     -1.228416
     23         O      4.320825     -2.352631     -2.732192
     24         O      3.355040    -10.231697      0.710760
     25         H      6.446740     -3.340614     -3.758587
     26         O      6.391837     -0.860564     -1.121914
     27         O      1.353275     -1.578358     -2.173388
     28         O      6.279844     -7.088229     -3.215741
     29         H      0.782525     -2.185220     -2.747843
     30         H      4.809133     -1.328563     -4.506333
     31         O      4.658290     -8.154807     -1.054879
     32         H      3.416302    -10.024218     -2.874178
     33         O      4.190722     -0.605551     -4.745999
     34         H      3.246950     -4.021072     -6.193515
     35         O      6.919218     -2.720843     -3.158503
     36         O      4.423565     -2.648921     -0.123166
     37         O      2.433811     -3.779009     -6.684063
     38         O      3.763253     -5.890095     -0.024893
     39         O      3.346469      0.296419     -2.102707
     40        Mo      5.261090     -6.576195     -1.609861
     41        Mo      5.819285     -2.466996     -1.482438
     42        Mo      2.710029     -0.725301     -3.382785
     43        Mo      0.857168     -3.471358     -5.347708
     44        Mo      2.012010     -7.168796     -3.950065
     45         H      1.987308     -3.174904     -1.544380
     46         H      3.095482     -6.673368     -0.015275
     47         H      3.253977     -5.135241     -0.456978
     48         H      3.660980     -3.172703     -0.539320
     49         H      1.376419     -5.340040     -1.768484
     50         H      5.638139     -7.196213     -3.950598
     51         H      0.052486     -5.845598     -5.478064
     52         H      6.953303     -4.471676     -0.494832
end

charge -6

