
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        Mo     -0.286444     -2.373344      2.682165
      2         O      1.546170     -2.010393      2.954005
      3        Mo      0.190247      2.127482     -2.676604
      4         O      0.560010      0.676678     -3.549954
      5         O     -3.392385      0.562327     -3.441765
      6        Mo      2.551581      2.319044     -0.236908
      7         O      4.042523      1.630587     -0.795341
      8        Mo     -1.558487     -2.531064     -0.849770
      9        Mo     -2.832853      0.477755     -1.794038
     10         O     -2.912750     -1.479865     -1.722741
     11        Mo      2.379900     -0.261707      2.383988
     12         O     -0.097062     -2.507820     -1.776395
     13         O      0.521058     -0.470117      1.347683
     14         O     -1.343327     -0.235994     -0.304431
     15         O      0.735213      1.194025     -0.580058
     16         O     -0.917315      1.709205      1.365821
     17         P     -0.297293      0.635942      0.525424
     18         O     -2.263971     -4.090847     -1.157773
     19         O     -4.130580      1.069916     -0.814720
     20         O      2.373410      1.434693      1.478753
     21         O      1.798608      2.894290     -1.976792
     22         O     -0.158077      3.323913     -3.891410
     23         O     -1.559368      1.936898     -1.891815
     24         O     -1.261649     -1.284225      3.617897
     25         O      2.659881      0.317712      3.998732
     26         O     -1.152420     -2.730852      1.009135
     27         O      2.889150      3.913779      0.368740
     28         O     -0.433791     -3.917045      3.470031
     29         O      3.855421     -0.944362      1.778561
end

charge -3

