
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     -2.928641      2.632017      1.456300
      2        Mo      0.738320     -2.483097     -0.743187
      3         O      2.790869      1.414254     -0.340916
      4        Mo      1.046362      2.301480     -0.749298
      5         O      1.185380     -3.963499      0.033926
      6         O     -1.456131      0.110709      1.201983
      7         O      1.456471      3.968826     -0.598449
      8        Mo     -2.765043     -1.472043      0.090930
      9         O     -3.659175      3.022407     -1.170198
     10        Mo     -2.681448      2.018889     -0.146847
     11         O      3.115757     -0.685670      1.757826
     12        Mo      3.307859     -0.357800      0.036569
     13         O     -1.062240     -2.336784     -0.038288
     14         O      0.425998     -2.825874     -2.409196
     15         P      0.072948      0.193225      1.284167
     16         O     -0.935225      2.319775     -0.770817
     17         O     -3.441323      0.283766     -0.426152
     18         O      0.775401     -0.456775      0.009909
     19         O     -3.512718     -1.983501      1.563611
     20         O     -3.595006     -2.353995     -1.153037
     21         O      2.619536     -1.790497     -0.981535
     22         O      1.139190      1.914751     -2.439309
     23         O      0.555656     -0.592583      2.587946
     24         O      5.011616     -0.380667     -0.275578
     25         O      0.621148      1.644494      1.280195
     26         H      1.558603     -0.682617      2.512930
end

charge -2

