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      2.046519     -1.224192      3.070452
      2         W      2.245220      2.542991      4.606613
      3         O     -1.083590      4.149308      5.925775
      4         W      0.735082     -0.117017      5.926562
      5         W     -1.397612     -1.232411      3.389584
      6         W     -1.192916      2.639274      4.970081
      7         W     -2.737427     -0.032338      6.169642
      8         O      0.521288     -1.615945      4.729334
      9         O      0.701517      1.803644      6.121378
     10         O      1.705188      0.520180      4.236859
     11         O      0.209870      2.812863      3.779167
     12         O      3.455671     -1.651014      4.100997
     13         O      0.028206     -0.654117      2.365536
     14         O     -2.752245     -0.591262      2.432660
     15         O     -1.461667     -2.981938      3.014805
     16         O     -2.566092      2.972521      3.890383
     17         O     -0.672458     -0.499268      7.047130
     18         O     -2.206401      1.778570      6.549519
     19         O      2.062685      4.215550      5.263284
     20         O      2.791123     -0.362740      1.687889
     21         O     -3.300668     -0.652346      7.760305
     22         O     -1.223173      0.495354      4.679149
     23         O     -2.388391     -1.631901      5.156283
     24         O     -4.284771      0.373720      5.378850
     25         O      1.690226     -2.858196      2.388172
     26         O      2.961500      2.821132      2.988478
     27         O      2.088265     -0.607487      6.959026
     28         O      3.646159      2.003310      5.594921
     29         H      1.538684      4.770256      4.680768
end

charge -7

geometry
Iterations 75
End

