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         W     -1.069609      0.145982      0.135514
      2         O     -1.002302     -0.076222      1.860387
      3         O      0.795809     -0.033556     -0.491925
      4         O     -2.545479      1.433933      0.042493
      5         O     -1.175055      0.989546     -2.299660
      6         O     -1.731330     -1.340646     -0.485075
      7         O      0.070305      2.311077      0.386476
      8         H      0.870556      2.332102     -0.176341
      9         H     -0.480597      3.056775      0.075321
     10         H     -2.637427      1.771035     -0.873915
     11         H     -1.592353      0.296029     -2.850329
     12         H     -0.241052      0.984709     -2.593200
     13         H      0.921093     -0.902793     -0.925748
     14         H      1.707401      0.181960     -0.281798
     15         H     -2.976476      1.592478      0.885526
end

charge 2

geometry
Iterations 75
End

