
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
    Ta=2.025
    W=1.992
    V=1.908
  SubEnd
end

XC
  GGA BP86
end

atoms
      1         O     -0.495009      1.729911      2.236339
      2         H     -0.992485      1.130163      1.621176
      3         H     -1.588899     -0.087083     -0.316874
      4         H     -0.571623      2.606065      1.814042
      5         O     -1.839405     -0.122375      0.626641
      6         H     -2.807697      0.005455      0.608669
end

charge 0

