
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     10.092376     14.180043      6.102068
      2         W     10.705682     11.454177      7.938374
      3         W     13.487543     11.563093      9.855559
      4         W     11.378946     14.725843      9.744803
      5         O     10.709477     13.742089      8.202999
      6         O      9.033701     11.307206      8.507300
      7         O     11.528502     11.373707      9.675908
      8         O     10.262845     14.162130     11.015456
      9         O     13.832908      9.867831      9.442871
     10         O     12.975963     12.047736      7.675684
     11         O      8.358006     14.046430      6.471234
     12         O     10.426391     12.214843      6.200954
     13         O     12.327070     14.064931      5.918723
     14         O     11.052361      9.811826      7.362472
     15         O     13.536253     11.502484     11.633187
     16         W     10.640998     17.365261      7.966358
     17         W     13.325478     17.333410      9.820957
     18         O     10.335903     15.993146      6.509082
     19         O      9.252792     18.414861      7.568724
     20         O     11.914868     18.104717      6.576223
     21         O      9.854600     16.183005      9.170619
     22         O     12.336056     16.084893      8.467947
     23         O     11.514765     18.406558      9.239555
     24         O     12.084261     16.193015     10.906275
     25         O     13.509227     18.501850     11.155250
     26         W     16.957107     16.210904      9.989372
     27         W     16.313578     18.993465      8.176194
     28         W     13.591664     18.869108      6.240688
     29         W     15.780768     15.721981      6.272133
     30         O     16.408400     16.642405      7.820249
     31         O     18.003886     19.143039      7.656141
     32         O     15.564918     19.108609      6.414394
     33         O     14.349630     16.772118      5.998522
     34         O     16.911569     16.247668      5.009820
     35         O     13.211979     20.554135      6.663434
     36         O     14.126239     18.325286      8.347066
     37         O     18.691223     16.384624      9.635860
     38         O     16.575867     18.149912      9.883449
     39         O     14.749267     16.226264     10.031547
     40         O     16.972851     16.113682     11.766217
     41         O     15.965817     20.615884      8.797801
     42         O     13.553102     18.948358      4.458086
     43         W     16.498230     12.986098      8.158669
     44         W     13.728794     12.975156      6.186358
     45         O     16.787364     14.372246      9.576773
     46         O     17.887899     11.932626      8.491365
     47         O     15.208436     12.269916      9.512895
     48         O     17.192277     14.198789      6.934582
     49         O     14.704442     14.344418      7.690474
     50         O     15.564806     12.029093      6.868506
     51         O     15.028776     14.174046      5.276606
     52         O     13.580655     11.796606      4.868636
     53         O     12.837432     13.665731      9.964239
     54         O     10.057031     14.262047      4.319270
     55         H     14.178113     14.723989      8.433199
end

charge -11

