
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     13.823699     10.556226      2.222194
      2         H     13.001050     12.868225      2.965698
      3         W     11.692148     11.390171      4.722904
      4         W      9.469042     10.548890      2.289708
      5         W     11.675348      8.120399      3.098395
      6         O     13.580970     10.441533      0.467133
      7         O     13.525624      8.676988      2.634009
      8         O      9.625335     12.273622      1.848797
      9         O     13.483010     10.911690      4.309139
     10         O     15.587488     10.563891      2.408384
     11         O     11.642375     10.255396      2.824412
     12         O     11.655773      6.746417      1.965911
     13         O      9.878100     11.054077      4.345634
     14         O      7.713345     10.332690      2.585095
     15         O      9.762819      9.749937      0.709514
     16         O      9.877838      8.530979      3.190358
     17         O     11.820212     13.158865      4.511170
     18         O     11.694652     11.054709      6.468275
     19         O     11.990028      7.467990      4.715679
     20         O     13.413297     12.511083      2.143438
end

charge -5

