
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
  GGA BP86
end

atoms
      1        Mo      0.083210     -2.633464      2.467805
      2         P     -0.056488     -0.017861     -0.014523
      3        Mo      0.104536      2.596972     -2.455063
      4        Mo     -0.044810      2.557266      2.495120
      5        Mo      2.489393     -2.566243     -0.056643
      6        Mo      2.616583      2.480132     -0.056774
      7        Mo     -2.637317      2.467865      0.174810
      8        Mo     -2.701072     -2.441325     -0.108680
      9        Mo     -2.480688     -0.069854     -2.610913
     10        Mo     -2.481951      0.084491      2.666418
     11        Mo      2.541680     -0.221360      2.598260
     12        Mo      2.556653      0.112537     -2.628838
     13         O      0.860552     -0.940613      0.863949
     14         O     -1.011782     -0.860150     -0.883564
     15         O      0.869191      0.882238     -0.904695
     16         O     -0.894218      0.905272      0.944280
     17         O     -3.053402     -1.157342      1.251072
     18         O      3.067643     -1.129425     -1.145970
     19         O     -3.014730      1.121351     -1.167746
     20         O      3.010637      1.206462      1.241828
     21         O      1.345742     -1.282018     -3.112622
     22         O      1.145016      1.218830      3.009518
     23         O     -1.109309      1.095777     -3.073565
     24         O     -1.163734     -1.163963      3.087065
     25         O     -1.208114      2.983290     -1.206248
     26         O     -1.206748     -3.009110      1.188922
     27         O      1.138917      3.074655      1.093752
     28         O      1.203232     -3.109407     -1.174363
     29         O      3.388799     -1.466334      1.553536
     30         O     -3.510741     -1.489844     -1.472397
     31         O      3.412663      1.489710     -1.476500
     32         O     -3.454020      1.459775      1.534260
     33         O      1.425128     -1.473233      3.445498
     34         O      1.519317      1.467331     -3.407684
     35         O     -1.537436      1.573396      3.394601
     36         O     -1.802134     -1.668762     -3.431407
     37         O     -1.571709     -3.454004     -1.401407
     38         O     -1.546099      3.385993      1.439842
     39         O      1.544254     -3.383530      1.545773
     40         O      1.539694      3.379380     -1.527018
     41         O     -0.207152     -3.809234      3.695541
     42         O      3.824185     -0.096692     -3.778014
     43         O     -0.185405      3.750075     -3.704000
     44         O      0.202091      3.802340      3.664946
     45         O      3.764181     -3.726983     -0.229914
     46         O      3.791528      3.709226      0.222272
     47         O     -3.834670      3.658118     -0.177481
     48         O     -3.892128     -3.639898      0.240525
     49         O     -3.703455      0.324560     -3.763821
     50         O     -3.686046     -0.182948      3.870773
     51         O      3.699416      0.136944      3.826015
     52         H     -1.596227     -2.401795     -2.768160
     53         H     -0.599446     -3.346021     -1.209643
     54         H      1.122958     -1.973509     -2.416457
end

charge -4

