
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
  HYBRID B3LYP
end

atoms
      1         O      3.914866      0.280799     -9.452743
      2         O      4.983469     -2.020035      5.291095
      3         O     -7.926208     -0.999470      1.013115
      4         O      4.831740      3.077493      1.270640
      5         O      0.589607      3.135604     -6.819509
      6        Ta     -3.155931      0.620049     -2.326712
      7         O      2.365164      1.913992      0.823873
      8         O      7.392574     -3.836285      5.338011
      9         O      7.970818      2.010120      6.289185
     10         O      6.324592      2.368850      3.777014
     11        Ta      4.128392     -0.404490      4.752047
     12        Ta      5.541618      1.664698      2.161642
     13         O      2.505617      3.386844     -4.632352
     14        Ta      2.589342      0.340512      2.020891
     15         O      7.192997      1.261233      1.296964
     16        Ta     -3.700212      0.878186      1.246038
     17        Ta     -6.382850      1.833218      2.768735
     18         O     -4.095019     -1.044255      1.932660
     19         O     -7.574065      0.653504      7.264297
     20        Ta     -6.043563     -1.356316      1.113528
     21         O      5.724190     -3.059254      2.892583
     22         O      7.486133     -0.867568      5.612883
     23        Ta      0.891198      0.339591     -3.057302
     24        Ta      5.184973     -1.688353      1.695802
     25        Ta      7.174176      1.012010      5.032421
     26        Ta     -4.367268     -0.698056      4.030214
     27         O     -6.233937      3.550901      2.290710
     28         O     -1.185883      3.337286     -9.248225
     29         H      1.185112     -0.819272      5.360098
     30         O    -10.616215     -0.402691      2.263653
     31         O      8.284448     -1.984311      3.188233
     32         O     -5.066882      0.007824      5.641784
     33        Ta     -7.136356      0.152060      5.599059
     34        Ta      3.144974     -1.868937     -1.212075
     35        Ta     -8.884130     -0.457154      2.721245
     36         O     -1.763236      1.783069     -6.679426
     37        Ta      6.843563     -2.353362      4.494042
     38        Ta     -0.724965      0.196072      3.987569
     39        Ta     -6.826763     -2.869782      4.012676
     40        Ta      1.692123      2.129969     -5.613911
     41        Ta     -1.269215      0.346164     -5.545122
     42        Ta      8.201712     -0.354462      2.070252
     43         O      3.398455     -1.287590      2.933708
     44         O     -1.283858     -2.590880     -9.274967
     45         O      9.734103     -0.377034      1.143184
     46         O      0.541948      0.322152     -6.683997
     47         O      3.048324     -3.475298     -2.253571
     48        Ta     -0.423988      2.068406     -8.234314
     49        Ta      1.612355     -1.504265     -5.628368
     50        Ta      2.503845      0.306627     -8.346052
     51        Ta     -0.484030     -1.353185     -8.252094
     52         O      3.641521      1.269012      3.363187
     53         H      2.814044     -3.264825     -3.246058
     54         O     -8.846017      0.112398      4.624663
     55         O     -0.666920      1.711461      4.895459
     56         O     -4.791288     -2.505553      4.346664
     57         O     -6.213077     -3.010017      2.059617
     58         O     -8.186278      1.388675      2.260024
     59         O      2.043398     -1.017058      0.481263
     60         O     -3.452960      2.687831      0.582247
     61         O     -4.838521     -0.280206     -2.482580
     62         O     -1.131332      0.367725     -8.977088
     63         O     -6.734937      1.915481      4.653952
     64         O     -5.632866     -1.834165     -0.590545
     65         O      0.005839      1.655212     -4.356223
     66         O     -7.039010     -4.578364      4.511814
     67         H     -5.163633     -0.910446     -1.725174
     68         O      1.528061      1.677994     -1.831580
     69         O      4.490294      0.193690      1.097749
     70         O     -1.751121      0.758001      2.127873
     71         O      5.937823     -0.356540      3.251687
     72         O     -3.017221      0.128284     -0.402627
     73         O     -2.666975      0.407085     -4.217485
     74         O      0.497103     -2.470686     -6.835996
     75         O      1.309437      1.711993     -9.094089
     76         O     -0.034828     -0.978844     -4.406669
     77         O     -1.050407      0.292138     -2.073174
     78         O      6.867971     -1.418903      0.891072
     79         O     -1.828591     -1.052031     -6.687694
     80         O     -7.142303     -1.832608      5.667200
     81         O     -5.647494      0.806789      0.934990
     82         O      1.425713     -1.158744     -1.988582
     83         O      1.263089     -1.061162     -9.099726
     84         O      2.391559     -2.819287     -4.649342
     85         O      8.580440      0.752782      3.647902
     86         O      3.024040      1.652251     -6.920977
     87         O      2.966788     -1.063890     -6.918093
     88         O      2.248251      0.310028     -4.445512
     89         O      2.592323     -0.405557      5.719743
     90         O     -6.348677     -0.508834      3.293887
     91         O      5.270621      0.781510      5.727632
     92         O     -4.311589      1.321343      3.123090
     93         O     -2.464340     -0.619266      4.347369
     94         O      0.815017      0.355474      2.685892
     95         O      4.192690     -2.595700      0.314307
     96         O     -8.587973     -2.330649      3.337021
     97         H     -1.052646      1.027872      1.499921
     98         O      4.308006     -0.828194     -2.024184
     99         O     -3.488457      2.371999     -2.150602
    100         O      0.226406     -1.078317      5.051675
    101         H     -0.978171     -0.035070     -1.155208
    102         H      1.177839     -0.804024      0.078213
    103         H     -3.430014      2.751012     -0.420204
    104         H      1.838906      1.720343     -0.882638
    105         H      3.226916      2.434006      0.785717
end

charge -15

