
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
    Si=2.48
    W=1.992
    Ta=2.025
    Nb=2.025
    V=1.908
  SubEnd
end

XC
  GGA BP86
end

atoms
      1         W      0.290027      5.471934      3.077484
      2         W     -0.186949      2.231818      6.647647
      3         W     -1.746347      2.838409      3.755287
      4         W      1.255593      5.088413      6.294368
      5         W      1.837520      2.020692      2.940479
      6         O      2.770489      1.524020      4.516759
      7         O      2.598481      1.231191      1.570400
      8         O      1.867621      3.793413      2.679199
      9         O      0.129039      1.532395      3.047092
     10         O     -2.708759      1.837874      2.697226
     11         O      0.464966      6.442973      7.066752
     12         O     -0.850608      4.030371      2.520073
     13         O      0.779988      3.648335      7.531010
     14         O      0.050291      3.739892      5.202265
     15         O      0.886990      6.271461      1.645537
     16         O     -1.199289      1.815557      8.017328
     17         O     -0.973075      6.546176      3.638546
     18         O      1.061660      0.984233      6.485137
     19         O     -1.471741      1.704381      5.290634
     20         O      1.531559      5.789910      4.493097
     21         O     -2.916322      3.951487      4.422363
     22         O      2.952431      5.126733      6.735995
     23         H      2.172908      1.297724      5.306926
end

charge -3

