
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
  METAGGA M06L
end

atoms
      1        Mo      1.966098      1.040474     -2.361187
      2        Mo      0.012759     -0.476948      0.173114
      3         H     -0.506496      5.261424     -2.289412
      4         O     -0.698895      4.496609      1.186189
      5         O     -0.969741     -1.837423      0.648429
      6        Mo      0.824312      1.393606      5.499038
      7         O      3.218537      2.257779     -2.532894
      8         O      2.540817      0.978188      6.342580
      9         O      2.679388      1.882455     -6.169874
     10         O     -0.222703      2.447507      4.371790
     11         O      3.559286      2.643793      1.265982
     12         O      1.613626      1.336616     -0.189514
     13         O     -0.715450      6.145304     -0.910096
     14         O      0.109178     -0.497892     -1.636154
     15        Mo      0.760197      2.165631     -5.889984
     16        Mo      0.330348      2.953590     -0.153647
     17         O      0.963003      0.007443      2.030927
     18         O      0.949965      4.818321      3.643491
     19         O      1.415944      0.791937     -4.050183
     20         O      0.493072     -0.253657      4.632700
     21         O     -2.115616      2.357253      2.442451
     22        Mo     -1.508157      2.997507     -2.993848
     23         O      2.515472      1.594358      3.726402
     24        Mo     -2.378131      5.388209      0.129297
     25         O     -2.709047      6.794456      1.090621
     26         O      0.810232      2.642135      1.734237
     27         H      1.505017      4.066534      5.088378
     28         O      0.057313      0.741219     -6.611589
     29         H     -2.711811      2.931031      1.864291
     30         H     -1.711814      1.724308      1.774142
     31         O      2.931388     -0.512725     -1.903649
     32         O      3.567934     -0.120973      1.534224
     33         O     -0.127711      1.241948      6.921808
     34        Mo      2.359768      1.280337      1.992372
     35         H      0.124791      5.913454     -0.463727
     36         H      2.586358      3.488601      6.103480
     37         O      0.546482      3.405562     -7.090662
     38         H      2.328838      3.488098     -3.805575
     39         O     -1.798938      4.813529      3.771321
     40         O     -1.016163      1.009767      0.423748
     41         O      1.463746      4.215062     -0.506220
     42         O      0.405580      2.229938     -2.033766
     43         H     -1.258649      0.602715     -2.218813
     44         O     -0.795245      2.583524     -4.680551
     45         H      3.495943      2.797915      0.299661
     46        Mo     -0.473762      3.961823      3.039554
     47         H      2.981562      1.165231     -5.572747
     48         O      1.957051     -1.552531      0.142653
     49         O     -3.128584      3.603824     -3.253350
     50         O     -2.005820      1.171780     -2.554027
     51         O     -0.467015      4.693277     -3.139232
     52         O     -1.387658      3.451410     -0.996632
     53         O     -3.393524      5.740034     -1.466221
     54         O     -3.350400      4.114502      0.905055
     55         H      3.274649      1.068735      5.696185
     56         H      3.025447     -0.856917      1.051154
     57         H      2.542669     -1.075391     -1.088965
     58         H      1.837868     -2.521682      0.181743
     59         O      1.628777      3.480836      5.897853
     60         O      1.692104      3.888620     -4.444425
     61         H      0.948163      4.265159     -3.866503
     62         H     -3.429933      4.980071     -2.108150
     63         H      0.616801     -0.227946      3.618796
end

charge -3

