
NumericalQuality Good

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

XC
  GGA PBE
end

atoms
W 10.307637 14.212361 6.108558
W 10.865341 11.348867 7.921791
W 13.505194 11.587142 9.830107999999999
W 11.298448 14.774725 9.785188
O 10.659642 13.843829 8.269171
O 9.166682000000002 11.264711 8.526991000000001
O 11.540018 11.244908 9.758183000000001
O 10.089283 14.279121 11.033785
O 13.977138 9.886919000000001 9.499257999999998
O 12.863996 12.027749 7.828517
O 8.534381 13.934231 6.381125
O 10.549692 12.160042 6.256576999999999
O 12.343362 14.054341 6.153251
O 11.131869 9.669898999999999 7.365138
O 13.565421 11.563156 11.64431
W 10.615359 17.481569 7.982953
W 13.348163 17.299823 9.894864999999999
O 10.348344 16.022891 6.488829
O 9.215956 18.46291 7.375763
O 11.958004 18.109693 6.627757
O 9.740213000000001 16.313298 9.131194000000001
O 12.246623 16.191408 8.553219
O 11.337108 18.601938 9.224392999999999
O 11.948417 16.275047 10.961982
O 13.41916 18.571696 11.18501
O 13.410586 11.735363 4.923938
W 16.394406 18.90088 8.335831000000001
W 13.650415 18.902107 6.297384
W 15.731316 15.7186 6.299847
O 16.502829 16.836434 7.509865
O 18.063891 19.190645 7.690306
O 15.533208 19.142623 6.467821000000001
O 14.307826 16.768382 5.957101
O 16.780484 15.995685 4.834451
O 13.181838 20.570883 6.764957
O 14.163798 18.263042 8.413952
O 12.680667 13.677975 10.119205
O 16.735157 18.186456 9.944008999999999
O 14.644474 16.220621 10.323826
O 10.306008 14.249249 4.301066
O 15.940075 20.57714199999999 8.827700999999999
O 13.542878 19.039214 4.500603
W 16.564823 13.154808 8.168519
W 13.862193 12.946571 6.158865999999999
O 17.223041 14.058462 9.57648
O 17.682477 11.717049 8.176080000000001
O 15.12137 12.414931 9.448924
O 17.332418 14.147805 6.78507
O 14.944849 14.377802 7.552945
O 15.378653 11.980474 6.827633
O 14.845151 14.099065 5.044539
end

charge -14

geometry
End

AnalyticalFreq
END

SCANFREQ -1000 0

