
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
  HYBRID B3LYP
end

atoms
      1         W      0.779734      5.202818      3.049279
      2         W     -0.793308      2.334882      7.534779
      3         W     -0.991597      2.635678      3.866072
      4         W      1.030554      5.275650      6.262778
      5         O     -0.452978      1.057867      3.369477
      6         O      0.306669      6.637381      7.065305
      7         O     -0.280401      3.686253      2.426055
      8         O      0.131620      3.881259      7.491378
      9         O      0.097471      4.129886      4.807604
     10         O      2.226151      4.958733      2.107452
     11         O     -2.204843      2.531941      8.505622
     12         O     -0.093833      6.522773      2.321664
     13         O      0.174286      0.909324      8.282609
     14         O     -1.278745      2.048022      5.822982
     15         O      1.546204      6.097416      4.606661
     16         O     -2.689986      2.740052      3.510467
     17         O      2.600827      5.030043      6.969641
     18         H      1.023177      0.640182      7.868447
end

charge -1

