
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     -6.641466     -1.567735     -3.027409
      2        Ta     -0.958996     -3.753148     -0.376802
      3         O     -8.002870     -0.098496     -0.964150
      4        Ta     -7.403148     -3.425235     -2.536973
      5         O     -4.522084     -2.346550      1.258955
      6         O     -2.945047     -3.957125     -0.638377
      7         O     -8.133704     -1.078975      1.590994
      8         O     -5.703901      1.093603     -2.275707
      9         O      0.118865     -2.727375     -1.423832
     10         O     -3.161795     -0.187417      2.405249
     11         O     -0.546109     -5.575367     -1.066643
     12         O     -7.817835     -4.099151     -4.149627
     13         O     -1.738596     -1.595128      0.156723
     14         O     -7.801860     -4.920226     -1.299856
     15         O     -5.591912     -0.038953      0.666541
     16        Ta     -3.437254     -0.561027      0.476242
     17        Ta     -6.382086     -1.814576      1.980351
     18         O     -4.353929     -1.386408     -1.167327
     19         O     -8.184992     -6.190092      1.358875
     20        Ta     -6.203011     -0.464159     -1.544402
     21         O     -9.024679     -2.488101     -1.939211
     22         H     -1.062682     -1.133010     -0.382191
     23         H     -2.782412      0.699486      2.556359
     24         O     -6.966240     -3.600517      2.299347
     25         O     -9.192744     -3.473916      0.648680
     26        Ta     -4.776409     -3.448664     -0.525435
     27         O     -6.052857     -1.165927      3.617259
     28         O     -2.975514      1.029865     -0.159481
     29         H     -0.461609     -5.622371     -2.037774
     30         O    -10.696329     -0.968770      0.028593
     31         O     -0.308071     -3.930674      1.295016
     32         O     -5.579920     -4.916488      0.364831
     33        Ta     -7.617700     -4.641594      0.650453
     34         O     -6.689733     -2.486677     -0.326586
     35        Ta     -9.035566     -1.636889     -0.128934
     36         O     -5.409451     -3.875704     -2.277344
     37         H     -5.841764      0.854729      0.973073
end

charge -6

