
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
    Ta=2.025
    Nb=2.025
    V=1.908
  SubEnd
end

XC
  HYBRID B3LYP
end

atoms
      1        Nb      1.651625      1.363001      2.998303
      2         H      3.228623      0.241592      1.383097
      3         H      3.923857      2.390480      3.523102
      4         O      2.028496      2.911805      4.365609
      5         O      3.767508      1.639435      2.918084
      6         O      0.922300      0.114094      4.105174
      7         H      1.179267      3.355136      4.554740
      8         O      2.261293      0.124323      1.440840
      9         O      0.307813      2.216456      2.109159
end

charge -2

