AnalyticalFreq
end

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
    W=1.992
  SubEnd
end

ScanFreq -1000 0

XC
  GGA PBE
end

atoms
      1         O      0.048452     -0.011727      0.028578
      2         O      1.696358     -2.743871     -2.492137
      3         W      1.971283     -0.080392      1.364068
      4         W      0.984957      1.632876     -1.310208
      5         W     -1.911793     -0.001742     -1.260785
      6         W     -0.878314      1.610281      1.445094
      7         W      0.938984     -1.692277     -1.339770
      8         O      2.365946      1.284738      0.002794
      9         O     -0.758562      1.343714     -2.108698
     10         O     -2.639684     -1.363270     -0.119682
     11         O      1.154432     -1.439175      2.442885
     12         O     -2.271477      1.309123      0.124507
     13         O      0.855300      1.247598      2.238657
     14         O      2.320325     -1.412561     -0.003813
     15         O     -0.808774     -1.353368     -2.114522
     16         O     -1.636162      0.215240      2.520062
     17         O      0.071147      2.644223      0.066089
     18         O      1.534060     -0.015466     -2.173386
     19         O      0.144562     -3.015044     -0.196684
     20         O     -1.450923      2.986032      2.331964
     21         O     -3.244174      0.186739     -2.354491
     22         O      1.687756      2.868055     -2.319339
     23         O      3.488327      0.055945      2.193133
     24         O     -1.537679     -2.788877      2.295269
     25         O     -4.974352     -2.858157      0.126267
     26         W     -2.432428     -1.107041      3.662739
     27         W     -2.474738     -4.432837      3.634124
     28         W     -0.606601     -4.410731      0.882799
     29         W      0.419823     -2.793295      3.588254
     30         W     -3.457979     -2.722351      0.956883
     31         O     -3.023469     -2.783369      4.497183
     32         O     -1.560711     -5.444629      2.259028
     33         O      0.782025     -4.108052      2.202932
     34         O     -0.682009     -1.442402      4.438015
     35         O     -3.809654     -1.388916      2.325855
     36         O     -2.343007     -4.050565      0.087114
     37         O     -0.732397     -4.141882      4.434374
     38         O     -3.855654     -4.084191      2.321473
     39         O      1.750091     -2.980925      4.684560
     40         O     -0.032384     -5.786626     -0.002934
     41         O     -3.179717     -5.666577      4.643540
     42         O     -3.190931     -0.054859      4.813760
     43         H     -3.683215      0.531337      4.234423
     44         H      1.939322     -3.190940     -1.678074
end

charge -2

geometry
Iterations 75
End

