
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         V     -1.120855     -0.447641      1.079293
      2         O      3.293312     -1.225078      0.830729
      3         V     -0.440389     -1.642057     -1.782168
      4         V      1.827292     -0.678122      0.393744
      5         O     -0.879754      1.130952      0.594421
      6         O     -1.573060     -1.480419     -0.339287
      7         O     -2.228233     -0.544259      2.292330
      8         O      1.302626     -1.410092     -1.134152
      9         O      0.584832     -1.030606      1.615374
     10         O     -0.596764     -3.146536     -2.438798
     11         O     -0.771276     -0.500181     -2.922617
     12         O      1.878263      1.117756      0.241235
     13         H      0.908643      1.383520      0.241125
end

charge -2

