
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     -2.095667     -1.727921      4.005615
      2         W      2.197851     -1.595679      4.006242
      3         W      0.105194     -3.426827      5.739411
      4         W      0.000000      0.000000      6.142056
      5         W     -2.197851      1.595679      4.006242
      6         W      2.095667      1.727921      4.005615
      7         W     -0.105194      3.426827      5.739411
      8         O     -1.819556     -0.056407      5.546131
      9         O      1.819556      0.056407      5.546131
     10         O      0.048921     -1.593193      4.522344
     11         O      1.900513      0.058056      3.009599
     12         O     -1.766565     -2.966262      5.527082
     13         O     -1.900513     -0.058056      3.009599
     14         O      0.146354     -4.780683      4.618984
     15         O     -3.942097      1.498412      4.257281
     16         O      1.860141      2.807446      2.636918
     17         O     -0.043670      1.405443      7.241767
     18         O      1.766565      2.966262      5.527082
     19         O      3.942097     -1.498412      4.257281
     20         O     -1.860141     -2.807446      2.636918
     21         O     -0.127340      4.208735      7.328381
     22         O     -0.048921      1.593193      4.522344
     23         O     -1.945142      2.851457      5.528727
     24         O     -0.146354      4.780683      4.618984
     25         O     -3.842687     -1.737659      4.256661
     26         O      2.029338     -2.689107      2.638635
     27         O      0.043670     -1.405443      7.241767
     28         O      1.945142     -2.851457      5.528727
     29         O      3.842687      1.737659      4.256661
     30         O     -2.029338      2.689107      2.638635
     31         O      0.127340     -4.208735      7.328381
end

charge -6

