
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
W 10.096398 14.150726 6.060035
W 10.810439 11.405523 7.846218
W 13.471242 11.614305 9.775532000000002
W 11.269869 14.743034 9.702030000000001
O 10.605883 13.760576 8.18107
O 9.097303 11.296248 8.324782000000001
O 11.517528 11.315539 9.641695
O 10.185014 14.134471 10.996019
O 13.901237 9.931735 9.38374
O 12.876169 12.113121 7.704141
O 8.355542 13.867538 6.3249
O 10.652769 12.229391 6.126868
O 12.396713 14.257218 6.128258
O 11.134788 9.752874 7.277707
O 13.526228 11.577868 11.560106
W 10.488379 17.41966 7.946678
W 13.243828 17.322642 9.887507000000001
O 10.205333 15.946011 6.467269
O 9.061073 18.358471 7.384655
O 11.826233 18.038532 6.626415
O 9.715393000000001 16.157588 9.0952
O 12.232406 16.139697 8.485642
O 11.144743 18.496 9.247788999999999
O 11.886359 16.212623 10.906334
O 13.256418 18.598707 11.172616
O 13.42158 11.630078 4.811557
W 16.712631 19.017509 8.032524
W 13.567761 18.796992 6.37755
W 15.861888 15.689535 6.232674
O 16.73117 16.892333 7.271761
O 18.352058 19.331192 7.367841
O 15.494925 19.04094 6.493673
O 14.289708 16.57832 6.141111
O 16.678623 15.990026 4.665934
O 13.126844 20.497919 6.687184
O 13.904199 18.295462 8.410867
O 12.757028 13.704984 9.905669
O 16.951954 18.211545 9.605714000000001
O 14.613901 16.31794 10.312078
O 10.177721 14.220083 4.269252
O 16.224859 20.653437 8.602404
O 13.535281 18.769397 4.580254
W 16.617095 13.086585 8.295748
W 13.827378 12.768526 6.094333
O 17.467701 13.91555 9.619859999999999
O 17.665719 11.64137 8.101618
O 15.181634 12.378696 9.446782000000001
O 17.177392 14.134042 6.812168
O 15.079542 14.532345 7.956986999999999
O 15.340653 12.019875 6.780562
O 14.824015 14.071051 5.208887
H 14.166795 14.546474 8.363455
H 12.762943 15.144898 6.376471
end

charge -12

geometry
End

