
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      13.80784000      11.16020000       2.68333000
W      14.01785000       8.06908000       4.08641000
W      11.93511000      10.35925000       5.34238000
W       9.43135000      11.21655000       3.41658000
W      11.36974000       8.84650000       2.26183000
O      13.38433000      11.56853000       0.99416000
O      13.35076000       9.07224000       2.31221000
O      13.71085000       6.50462000       3.29737000
O      13.72515000      10.19200000       4.57044000
O      14.20764000       7.64222000       5.80302000
O      11.55927000      10.81964000       3.21640000
O      11.87764000       8.47669000       4.17008000
O      10.04368000      10.34178000       5.20472000
O       7.76049000      10.97655000       3.84169000
O       9.29804000      11.61845000       1.65094000
O       9.61997000       9.16139000       2.87452000
O      12.10997000      12.01786000       5.79852000
O      12.22598000       9.57149000       6.86016000
O      11.34576000       7.15722000       1.88936000
O      15.70737000       8.35188000       3.64826000
O      11.27154000       9.60359000       0.71076000
O      15.81775000      10.87281000       2.38196000
O      14.30015000      12.71702000       3.69874000
O       9.14189393      12.91165413       3.83722644
end

charge -8

AnalyticalFreq
End

SCANFREQ -1000 0

geometry
end

