
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         O      0.048394     -0.011855      0.028736
      2         O      1.696354     -2.743743     -2.492170
      3         W      1.971180     -0.080345      1.364187
      4         W      0.984982      1.632810     -1.310160
      5         W     -1.911608     -0.001962     -1.260911
      6         W     -0.878382      1.610093      1.444966
      7         W      0.938926     -1.692277     -1.339721
      8         O      2.365878      1.284646      0.002841
      9         O     -0.758484      1.343473     -2.108991
     10         O     -2.639768     -1.363325     -0.119680
     11         O      1.153832     -1.438613      2.443177
     12         O     -2.271163      1.308851      0.124319
     13         O      0.855287      1.247595      2.238484
     14         O      2.320172     -1.412596     -0.003696
     15         O     -0.808648     -1.353484     -2.114606
     16         O     -1.635703      0.214999      2.520108
     17         O      0.071240      2.644085      0.066183
     18         O      1.534168     -0.015420     -2.173166
     19         O      0.144332     -3.014776     -0.196591
     20         O     -1.450931      2.985809      2.331980
     21         O     -3.244083      0.186289     -2.354554
     22         O      1.688090      2.867951     -2.319093
     23         O      3.488231      0.056055      2.193281
     24         O     -1.537588     -2.788634      2.295195
     25         O     -4.974546     -2.858424      0.126603
     26         W     -2.432387     -1.107046      3.662706
     27         W     -2.474654     -4.432789      3.634097
     28         W     -0.606831     -4.410418      0.882712
     29         W      0.419776     -2.793317      3.588127
     30         W     -3.458119     -2.722248      0.957029
     31         O     -3.023489     -2.783414      4.497200
     32         O     -1.560728     -5.444534      2.258971
     33         O      0.781846     -4.107776      2.202740
     34         O     -0.682165     -1.442650      4.438088
     35         O     -3.809692     -1.388583      2.325802
     36         O     -2.343125     -4.050388      0.087194
     37         O     -0.732110     -4.141824      4.434292
     38         O     -3.855566     -4.084070      2.321657
     39         O      1.750313     -2.980842      4.684197
     40         O     -0.032614     -5.786185     -0.003232
     41         O     -3.179468     -5.666703      4.643389
     42         O     -3.190893     -0.055024      4.813860
end

charge -4

