
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        Ta      2.165368      1.351496      3.167037
      2         H      1.532004      0.413703      0.900225
      3         H      4.490692      2.211742      3.917199
      4         O      0.765510      2.366356      4.085264
      5         O      4.051057      1.491679      3.423710
      6         H      1.054660     -0.095765      5.104366
      7         H      0.556408      3.189564      3.598018
      8         O      1.871146      0.075197      1.752319
      9         O      1.986931      2.900346      1.936797
     10         O      1.859739      0.046131      4.573705
     11         H      2.675491      2.961982      1.244089
end

charge 0

