
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     10.095698     14.176626      6.098010
      2         W     10.716834     11.403277      7.924723
      3         W     13.478751     11.541557      9.852385
      4         W     11.288590     14.671946      9.790282
      5         O     10.639093     13.743039      8.254181
      6         O      9.037282     11.254037      8.458574
      7         O     11.515365     11.323705      9.669151
      8         O     10.219012     14.102832     11.075074
      9         O     13.853372      9.856989      9.446694
     10         O     12.954465     12.044149      7.706489
     11         O      8.359958     14.017343      6.421050
     12         O     10.473956     12.238437      6.211051
     13         O     12.340660     14.178112      6.074661
     14         O     11.070597      9.779870      7.319828
     15         O     13.518350     11.495985     11.626786
     16         W     10.588800     17.399098      7.921753
     17         W     13.356571     17.410673      9.858743
     18         O     10.268990     16.023134      6.516746
     19         O      9.207777     18.468260      7.630240
     20         O     11.874933     18.119755      6.572115
     21         O      9.904514     16.188082      9.167800
     22         O     12.360981     16.030191      8.324059
     23         O     11.556060     18.338138      9.222053
     24         O     12.074942     16.207943     10.764301
     25         O     13.612174     18.524938     11.199586
     26         W     16.969658     16.225823      9.986606
     27         W     16.350883     18.997928      8.158697
     28         W     13.588073     18.860713      6.231856
     29         W     15.777163     15.730530      6.293673
     30         O     16.427453     16.660173      7.829198
     31         O     18.030777     19.146773      7.626075
     32         O     15.551880     19.078228      6.414885
     33         O     14.285639     16.738739      6.094879
     34         O     16.845872     16.299652      5.008045
     35         O     13.214100     20.545696      6.636682
     36         O     14.110557     18.358165      8.376653
     37         O     18.705528     16.383984      9.663930
     38         O     16.591373     18.163416      9.873407
     39         O     14.724752     16.222921     10.006254
     40         O     16.942823     16.127034     11.758229
     41         O     15.997230     20.621255      8.763976
     42         O     13.548770     18.905455      4.457359
     43         W     16.477915     13.003421      8.161895
     44         W     13.708887     12.991315      6.224509
     45         O     16.795704     14.379574      9.566653
     46         O     17.859008     11.934428      8.453001
     47         O     15.191492     12.282915      9.511504
     48         O     17.162085     14.214678      6.916307
     49         O     14.702887     14.374243      7.759675
     50         O     15.509954     12.064815      6.862170
     51         O     14.991016     14.194351      5.320281
     52         O     13.454264     11.875676      4.884658
     53         O     12.779594     13.663538      9.990114
     54         O     10.122193     14.274361      4.326230
     55         H     14.335005     14.711574      8.611972
     56         H     12.738622     15.694494      7.475292
end

charge -10

