
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     10.121035     14.208233      6.117956
      2         W     10.764100     11.442606      7.923932
      3         W     13.513332     11.558015      9.841513
      4         W     11.387721     14.734438      9.755493
      5         O     10.712076     13.779490      8.217421
      6         O      9.078257     11.295525      8.469990
      7         O     11.531900     11.342691      9.679246
      8         O     10.219226     14.214856     11.009573
      9         O     13.856420      9.855942      9.433669
     10         O     12.982182     12.081625      7.735960
     11         O      8.381591     14.017510      6.465318
     12         O     10.486049     12.238304      6.205940
     13         O     12.333514     14.116832      5.973307
     14         O     11.106842      9.803916      7.328451
     15         O     13.551100     11.484597     11.630246
     16         W     10.595805     17.409980      8.009814
     17         W     13.325290     17.333348      9.838111
     18         O     10.304952     16.016795      6.533191
     19         O      9.218832     18.460248      7.539859
     20         O     11.893398     18.119939      6.592400
     21         O      9.786058     16.243359      9.188817
     22         O     12.275952     16.135498      8.499279
     23         O     11.460521     18.470913      9.250425
     24         O     12.075788     16.213120     10.928914
     25         O     13.462472     18.547428     11.147140
     26         W     16.969465     16.193968      9.974961
     27         W     16.326357     18.959715      8.169063
     28         W     13.577117     18.844229      6.251566
     29         W     15.702723     15.667827      6.337530
     30         O     16.378212     16.622672      7.875725
     31         O     18.012166     19.106662      7.622902
     32         O     15.558527     19.059593      6.413798
     33         O     14.302980     16.753457      6.042371
     34         O     16.871397     16.187562      5.083664
     35         O     13.234011     20.546239      6.659641
     36         O     14.108337     18.320678      8.357158
     37         O     18.708821     16.384732      9.627258
     38         O     16.604509     18.163981      9.887080
     39         O     14.757001     16.285592     10.119662
     40         O     16.996329     16.107648     11.763447
     41         O     15.983810     20.598372      8.764736
     42         O     13.539258     18.917827      4.462839
     43         W     16.494553     12.992257      8.083208
     44         W     13.765141     13.068978      6.254912
     45         O     16.785496     14.385333      9.559792
     46         O     17.871358     11.941752      8.553160
     47         O     15.197081     12.282270      9.500687
     48         O     17.304339     14.158881      6.904225
     49         O     14.814436     14.266777      7.593751
     50         O     15.629847     11.931239      6.842630
     51         O     15.014847     14.189077      5.164188
     52         O     13.627939     11.854913      4.945878
     53         O     12.787431     13.648780     10.050588
     54         O     10.094374     14.294323      4.329452
end

charge -12

