
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
  HYBRID B3LYP
end

atoms
      1        Mo      0.441989     -2.361605      2.859254
      2         O      3.524416     -3.703016     -0.242107
      3        Mo     -0.072393      2.292385     -2.519653
      4        Mo     -0.011613      2.353481      2.832740
      5        Mo      2.303772     -2.540005     -0.039414
      6        Mo      2.348427      2.818330     -0.023693
      7        Mo     -2.370508      2.834869      0.453661
      8         O      3.470430      4.084169      0.214399
      9         O     -3.533702      4.029068      0.078345
     10        Mo     -2.528724     -0.050873      2.337968
     11        Mo      2.831452     -0.018234      2.355348
     12        Mo      2.822291      0.419750     -2.362594
     13         O      0.964697     -0.854278      0.941678
     14         O     -0.896011     -0.903172     -0.855952
     15         O      0.912131      0.950945     -0.844457
     16         O     -0.854329      0.920551      0.980681
     17         O     -3.278583     -1.062311      0.924639
     18         O      2.692393     -1.211359     -1.347772
     19         O      4.095688      0.230848      3.477323
     20         O      3.091715      1.322609      1.124263
     21         O      0.243183      3.483475      4.088533
     22         O      1.331783      1.125504      3.094669
     23         O     -1.077949      0.864188     -3.250063
     24         O     -1.190452     -1.347915      2.736151
     25         O     -1.369190      2.698121     -1.184758
     26         O     -0.286620      3.501902     -3.692509
     27         O      1.127786      3.085048      1.325844
     28         O      0.885427     -3.292889     -1.041507
     29         O      3.380773     -1.514334      1.392674
     30         O      4.009621      0.035901     -3.530040
     31         O      3.563588      1.731386     -1.373766
     32         O     -3.340824      1.571292      1.382551
     33         O      1.753867     -1.367081      3.589011
     34         O      1.551502      1.334365     -3.333649
     35         O     -1.502974      1.391461      3.398563
     36         P     -0.034916     -0.037558     -0.009691
     37         O     -3.687532     -0.254790      3.562469
     38         O     -1.365692      3.575007      1.751747
     39         O      1.353705     -3.340460      1.590514
     40         O      1.370670      3.365340     -1.512576
     41         O      0.066538     -3.521642      4.056879
     42         H     -1.424152      0.995212     -4.161356
     43         H     -4.190897     -1.401836      1.065251
     44         H      1.012808     -4.213189     -1.363907
end

charge 0

