
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
  GGA BP86
end

atoms
      1        Nb      2.167140      1.411194      3.127928
      2         H      1.653070      0.448921      0.882608
      3         H      4.433110      2.269569      3.990218
      4         H      1.033164      3.175590      1.472289
      5         O      4.066217      1.635537      3.339810
      6         H      1.010762     -0.085363      4.937505
      7         H      0.586591      3.244614      3.774994
      8         O      1.766481      0.054580      1.771571
      9         O      1.884836      2.820025      1.791027
     10         O      1.875676      0.066191      4.509056
     11         O      0.837661      2.405690      4.210896
end

charge 0

