
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      13.70063300      11.25971800       2.63427500
W      14.06626000       8.03349000       4.11560000
W      11.92174700      10.27866000       5.40812100
W       9.52247400      11.36990900       3.29833500
W      11.37924000       8.75158400       2.23455600
O      13.20686600      11.67345800       0.95947800
O      13.37464300       9.09040100       2.27541200
O      13.86195800       6.41535800       3.34353000
O      13.76433200      10.19962200       4.60142200
O      14.26958200       7.60054200       5.85574800
O      11.62326800      10.79648700       3.21391800
O      11.98785600       8.38443200       4.29635500
O      10.06198500      10.41915400       5.18347300
O       7.77856200      11.10217300       3.72330600
O       9.42339800      11.79827800       1.55305600
O       9.64931300       9.25206000       2.75507300
O      12.25356900      11.91162100       6.07178600
O      11.98343500       9.31452300       6.92111900
O      11.15262400       6.98089500       2.03747900
O      15.77333400       8.41633900       3.65902000
O      11.32711700       9.25702900       0.51320200
O      15.48111500      11.07975700       2.42973700
O      13.61288600      12.85688000       3.44834400
O       9.84392600      12.98684200       4.01872300
H      13.18427547      12.74101174       4.29950060
end

charge -7

AnalyticalFreq
End

SCANFREQ -1000 0

geometry
end

