
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      0.100695     -2.443284      2.659627
      2        Mo     -0.100660     -2.443279     -2.659659
      3        Mo      0.100726      2.443164     -2.659808
      4        Mo     -0.100763      2.443396      2.659870
      5        Mo      2.443391     -2.659762      0.100687
      6        Mo      2.443300      2.659798     -0.100646
      7        Mo     -2.443257      2.659959      0.100767
      8        Mo     -2.443483     -2.659977     -0.100774
      9        Mo     -2.659863     -0.100812     -2.443122
     10        Mo     -2.659743      0.100699      2.443254
     11        Mo      2.659726     -0.100801      2.443276
     12        Mo      2.659934      0.100821     -2.443375
     13         O      0.899996     -0.900026      0.900100
     14         O     -0.900073     -0.900053     -0.900088
     15         O      0.900025      0.900034     -0.900106
     16         O     -0.900057      0.900084      0.900113
     17         O     -3.032585     -1.200565      1.144217
     18         O      3.032473     -1.200733     -1.144213
     19         O     -3.032483      1.200645     -1.144035
     20         O      3.032499      1.200412      1.143835
     21         O      1.200571     -1.144273     -3.032563
     22         O      1.200688      1.144295      3.032493
     23         O     -1.200615      1.143944     -3.032566
     24         O     -1.200451     -1.143792      3.032534
     25         O     -1.143930      3.032568     -1.200600
     26         O     -1.144068     -3.032519      1.200614
     27         O      1.144083      3.032675      1.200429
     28         O      1.143689     -3.032604     -1.200257
     29         O      3.401568     -1.543298      1.469628
     30         O     -3.401753     -1.543264     -1.469396
     31         O      3.401657      1.543132     -1.469857
     32         O     -3.401385      1.543433      1.469733
     33         O      1.543299     -1.469621      3.401461
     34         O      1.543241      1.469487     -3.401640
     35         O     -1.543253      1.470049      3.401555
     36         O     -1.543486     -1.469928     -3.401277
     37         O     -1.470036     -3.401665     -1.543138
     38         O     -1.469617      3.401759      1.543182
     39         O      1.469850     -3.401422      1.543399
     40         O      1.469966      3.401317     -1.543490
     41         O     -0.189677     -3.640968      3.855428
     42         O      0.189533     -3.641239     -3.855236
     43         O     -0.189605      3.640944     -3.855524
     44         O      0.189713      3.641291      3.855438
     45         O      3.641023     -3.855591     -0.189736
     46         O      3.641207      3.855416      0.189578
     47         O     -3.641028      3.855656     -0.189666
     48         O     -3.641247     -3.855633      0.189829
     49         O     -3.855586      0.189482     -3.640904
     50         O     -3.855383     -0.189445      3.641159
     51         O      3.855519      0.189623      3.640956
     52         O      3.855554     -0.189658     -3.641211
     53         P     -0.000043      0.000030     -0.000000
end

charge -3

