
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      0.343958     -3.050190     -1.858291
      2         O      0.036932      0.144007     -5.363259
      3        Mo     -0.505700      3.101042      1.722684
      4        Mo      3.071096     -0.698115      1.929376
      5        Mo     -0.053533     -0.093039     -3.624070
      6        Mo      2.515288      2.522230      0.000000
      7        Mo     -0.053533     -0.093039      3.624070
      8         O      3.816486      3.697576      0.000000
      9         O      0.036932      0.144007      5.363259
     10        Mo      0.343958     -3.050190      1.858291
     11        Mo      3.071096     -0.698115     -1.929376
     12        Mo     -0.505700      3.101042     -1.722684
     13         O      0.452541     -0.724570     -1.283054
     14         O     -1.700052     -0.045928      0.000000
     15         O      0.306402      1.484173      0.000000
     16         O      0.452541     -0.724570      1.283054
     17         O     -1.384520     -3.160610      1.602247
     18         O      0.093903      1.727825     -2.978100
     19         O     -1.771890     -0.265413      3.303897
     20         O      2.969727      1.378543     -1.349712
     21         O     -2.156485      2.070953     -1.575109
     22         O      3.322263     -0.799020      0.000000
     23         O     -2.156485      2.070953      1.575109
     24         O      0.867466     -3.245622      0.000000
     25         O      0.093903      1.727825      2.978100
     26         O     -1.384520     -3.160610     -1.602247
     27         O      2.969727      1.378543      1.349712
     28         O     -1.771890     -0.265413     -3.303897
     29         O      2.107510     -0.088407     -3.382070
     30         O     -1.008650      4.369702     -2.807352
     31         O      1.287107      3.530151     -1.340992
     32         O      0.292396     -2.039514      3.519226
     33         O      2.543088     -2.429324     -2.041231
     34         O     -0.974506      3.913773      0.000000
     35         O      2.543088     -2.429324      2.041231
     36         P     -0.161469     -0.038505      0.000000
     37         O      0.775690     -4.635401      2.490109
     38         O      2.107510     -0.088407      3.382070
     39         O      0.292396     -2.039514     -3.519226
     40         O      1.287107      3.530151      1.340992
     41         O      0.775690     -4.635401     -2.490109
     42         O      4.728092     -0.711290     -2.510143
     43         O     -1.008650      4.369702      2.807352
     44         O      4.728092     -0.711290      2.510143
     45         H     -2.061192      1.199773      1.069660
     46         H     -2.061192      1.199773     -1.069660
end

charge -7

