AnalyticalFreq
end

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

ScanFreq -1000 0

XC
  GGA PBE
end

atoms
      1        Mo      0.118978     -2.524607      2.524607
      2         P      0.000000      0.000000      0.000000
      3        Mo      0.118978      2.524607     -2.524607
      4        Mo     -0.118978      2.524607      2.524607
      5        Mo      2.524607     -2.524607      0.118978
      6        Mo      2.524607      2.524607     -0.118978
      7        Mo     -2.524607      2.524607      0.118978
      8        Mo     -2.524607     -2.524607     -0.118978
      9        Mo     -2.524607     -0.118978     -2.524607
     10        Mo     -2.524607      0.118978      2.524607
     11        Mo      2.524607     -0.118978      2.524607
     12        Mo      2.524607      0.118978     -2.524607
     13         O      1.016136     -1.016136      1.016136
     14         O     -1.016136     -1.016136     -1.016136
     15         O      1.016136      1.016136     -1.016136
     16         O     -1.016136      1.016136      1.016136
     17         O     -3.001704     -1.146781      1.146781
     18         O      3.001704     -1.146781     -1.146781
     19         O     -3.001704      1.146781     -1.146781
     20         O      3.001704      1.146781      1.146781
     21         O      1.146781     -1.146781     -3.001704
     22         O      1.146781      1.146781      3.001704
     23         O     -1.146781      1.146781     -3.001704
     24         O     -1.146781     -1.146781      3.001704
     25         O     -1.146781      3.001704     -1.146781
     26         O     -1.146781     -3.001704      1.146781
     27         O      1.146781      3.001704      1.146781
     28         O      1.146781     -3.001704     -1.146781
     29         O      3.422022     -1.516710      1.516710
     30         O     -3.422022     -1.516710     -1.516710
     31         O      3.422022      1.516710     -1.516710
     32         O     -3.422022      1.516710      1.516710
     33         O      1.516710     -1.516710      3.422022
     34         O      1.516710      1.516710     -3.422022
     35         O     -1.516710      1.516710      3.422022
     36         O     -1.516710     -1.516710     -3.422022
     37         O     -1.516710     -3.422022     -1.516710
     38         O     -1.516710      3.422022      1.516710
     39         O      1.516710     -3.422022      1.516710
     40         O      1.516710      3.422022     -1.516710
     41         O     -0.259833     -3.927622      3.927622
     42         O      3.927622     -0.259833     -3.927622
     43         O     -0.259833      3.927622     -3.927622
     44         O      0.259833      3.927622      3.927622
     45         O      3.927622     -3.927622     -0.259833
     46         O      3.927622      3.927622      0.259833
     47         O     -3.927622      3.927622     -0.259833
     48         O     -3.927622     -3.927622      0.259833
     49         O     -3.927622      0.259833     -3.927622
     50         O     -3.927622     -0.259833      3.927622
     51         O      3.927622      0.259833      3.927622
     52         H     -1.350708     -2.235923     -2.808201
     53         H     -1.350708     -4.331455     -1.257917
     54         H      0.918433     -1.675786     -2.233842
end

charge -4

geometry
end

