
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
    Ta=2.025
    W=1.992
    V=1.908
  SubEnd
end

XC
  GGA BP86
end

atoms
      1        Mo      2.016036      1.080988     -2.374939
      2        Mo      0.007482     -0.530837      0.035393
      3         H     -0.583193      5.258587     -2.309251
      4         O     -0.691009      4.243698      1.144722
      5         O     -1.004629     -1.907552      0.418139
      6        Mo      0.880485      1.562034      5.718225
      7         O      3.265350      2.312994     -2.504884
      8         O      2.678403      1.274449      6.512370
      9         O      2.761625      2.080883     -6.106461
     10         O     -0.142346      2.463009      4.359149
     11         O      3.567127      2.430524      1.420339
     12         O      1.627244      1.280873     -0.230074
     13         O     -0.745855      6.077981     -0.925420
     14         O      0.165091     -0.492970     -1.776050
     15        Mo      0.804213      2.292833     -5.882554
     16        Mo      0.347656      2.899767     -0.148507
     17         O      0.908069     -0.174498      1.894415
     18         O      0.966263      4.879284      3.447676
     19         O      1.498669      0.862777     -4.085167
     20         O      0.387003     -0.089869      5.425847
     21         O     -2.207640      2.295228      2.402837
     22        Mo     -1.535095      2.981363     -2.976434
     23         O      2.466674      1.294458      3.806988
     24        Mo     -2.479624      5.395491      0.095766
     25         O     -2.590766      6.720050      1.263637
     26         O      0.834032      2.479606      1.743808
     27         H      1.704214      4.256999      4.833493
     28         O      0.203090      0.870565     -6.712156
     29         H     -2.722380      2.945221      1.801918
     30         H     -1.789377      1.682448      1.738943
     31         O      2.989454     -0.480232     -1.947106
     32         O      3.530366     -0.291385      1.540236
     33         O      0.048591      2.003908      7.187455
     34        Mo      2.265654      1.083035      2.065115
     35         H      0.052115      5.782564     -0.441816
     36         H      2.901099      3.613958      5.636184
     37         O      0.613157      3.573246     -7.056020
     38         H      2.288522      3.597320     -3.707099
     39         O     -1.773266      4.742418      3.749529
     40         O     -1.016782      0.951387      0.316042
     41         O      1.503014      4.153668     -0.461575
     42         O      0.439040      2.247229     -2.053678
     43         H     -1.161537      0.555380     -2.372116
     44         O     -0.719266      2.601223     -4.701543
     45         H      3.510603      2.534625      0.447136
     46        Mo     -0.437562      3.874033      3.038024
     47         H      3.051579      1.423964     -5.438285
     48         O      1.943696     -1.658358     -0.026512
     49         O     -3.155125      3.440764     -3.391789
     50         O     -1.943388      1.089895     -2.689584
     51         O     -0.545407      4.722391     -3.185086
     52         O     -1.424527      3.402758     -1.065682
     53         O     -3.494106      5.886206     -1.266204
     54         O     -3.420176      4.046763      0.861125
     55         H      3.272814      0.959444      5.799392
     56         H      3.012967     -0.987463      1.010236
     57         H      2.560786     -1.083649     -1.165625
     58         H      1.787764     -2.616054     -0.138205
     59         O      1.940064      3.782966      5.685630
     60         O      1.692983      4.028715     -4.363496
     61         H      0.886690      4.343669     -3.820076
end

charge -5

