
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      1.820439      1.446094      3.265371
      2         H      1.817165      0.210821      1.023103
      3         H      4.347141      1.806067      3.141348
      4         O      1.424512     -0.067898      4.286862
      5         O      3.552607      2.061033      3.660222
      6         H      2.020038     -0.565618      4.888857
      7         H      0.062346      2.901524      4.407175
      8         O      1.685477      1.098370      1.423581
      9         O      0.658776      2.884257      3.626249
end

charge 1

