
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      0.092130      1.265857     -2.589826
      2         O      1.312054     -0.244685     -2.840125
      3        Mo      2.297350     -1.007206     -1.326558
      4         O      2.377288     -1.407459      0.571686
      5        Mo      1.501049     -1.194659      2.292663
      6         O      0.056093     -0.396514      3.349720
      7        Mo     -1.687407      0.005689      2.546633
      8         O     -2.892370      0.414439      1.057762
      9        Mo     -2.443436      1.694309     -0.336927
     10         O     -1.112330      2.413918     -1.553823
     11         O      1.089706     -2.894275      2.541484
     12         O      2.861639     -1.000166      3.390132
     13         O      3.714461      0.044731     -1.392116
     14         O      2.921745     -2.482412     -2.052455
     15         O      1.085380      2.569360     -3.223416
     16         O     -0.971286      0.858687     -3.937478
     17         O     -2.937003      3.208702      0.415659
     18         O     -3.785898      1.365199     -1.428132
     19         O     -2.070323      1.346023      3.628237
     20         O     -2.631916     -1.328982      3.190390
     21         O     -0.637663      1.638983      1.120831
     22         O      1.732989      0.940386      1.764906
     23         O      1.119989      0.981337     -0.677138
     24         O      1.349744      3.199270      0.629538
     25         P      0.897281      1.743862      0.715610
     26         O     -1.336303     -0.124293     -1.230651
     27         O     -2.096592     -2.475841     -0.512371
     28         P     -0.951390     -1.467677     -0.466701
     29         O     -0.549138     -1.109007      1.042295
     30         O      0.349809     -2.038361     -1.118495
end

charge -6

