
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
    Mo=1.992
    Si=2.48
    W=1.992
    P=2.13
  SubEnd
end

XC
  GGA BP86
end

atoms
      1         O     -0.491963      1.721904      2.221301
      2         H     -0.983239      1.108887      1.613910
      3         H     -1.575994     -0.073035     -0.302551
      4         H     -0.606907      2.597375      1.806435
      5         O     -1.839479     -0.141778      0.635800
      6         H     -2.797538      0.048797      0.615094
end

charge 0

