
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
    P=2.13
  SubEnd
end

XC
  GGA BP86
end

atoms
      1         O     -2.525837      2.776048      1.754993
      2        Mo      0.841366     -3.289660     -0.084289
      3         O      2.211164      1.315529     -0.014721
      4        Mo      0.871311      2.612911     -0.549365
      5         O      1.126352     -3.671071      1.591167
      6         O     -1.376142     -0.862850      1.405798
      7         O      1.466479      4.017053      0.281008
      8        Mo     -2.267722     -1.299223     -0.424145
      9         O     -3.822452      3.177071     -0.656062
     10        Mo     -2.483565      2.329304      0.072046
     11         O      4.232872     -0.632866      0.401811
     12        Mo      2.762730     -0.474762     -0.507552
     13         O     -0.960477     -2.799398     -0.355003
     14         O      0.919021     -4.819844     -0.916840
     15         P     -0.025607     -0.040179      1.418017
     16         O     -1.026620      3.159474     -0.842341
     17         O     -3.011849      0.528022     -0.141748
     18         O      0.970090     -0.939726      0.539843
     19         O     -3.738027     -2.207362     -0.283721
     20         O     -1.949018     -0.997126     -2.109437
     21         O      2.327679     -2.390784     -0.875647
     22         O      1.306925      2.738907     -2.228736
     23         O      0.472683      0.291615      2.791082
     24         O      3.179504     -0.141553     -2.164863
     25         O     -0.365583      1.230094      0.493716
end

charge -3

