
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
    Ta=2.025
    Nb=2.025
    V=1.908
  SubEnd
end

XC
  HYBRID B3LYP
end

atoms
      1         O     -3.474782      1.207216      1.145120
      2         O      4.357956     -6.140431     -0.252643
      3         O     -8.373570     -0.160378     -0.187900
      4         O      3.202604     -2.480245      5.003534
      5         O     -0.415792     -4.764045     -0.851994
      6         O      6.932018     -5.649022      3.849361
      7         O      1.485157     -1.449887      3.184708
      8         O      7.203889     -6.739767     -1.086588
      9         O      5.276493     -8.083250      4.393885
     10         O      4.243176     -5.241291      4.526829
     11        Nb      3.095395     -5.448768      1.017885
     12        Nb      4.181323     -3.445471      3.808814
     13         H      2.062849     -1.686220      3.976231
     14        Nb      2.086863     -2.381425      1.555623
     15         O      6.016437     -3.018579      4.165988
     16        Nb     -3.911398     -0.507918      1.168226
     17        Nb     -6.593864     -2.564069      1.944915
     18         O     -4.497243     -0.918272     -0.774998
     19         O     -7.781604     -6.607762     -0.391187
     20        Nb     -6.511929     -0.087760     -0.711672
     21         O      5.998145     -3.980664     -0.612502
     22         O      6.107028     -7.192343      1.658475
     23         H     -2.957278     -0.189784      3.482231
     24        Nb      5.248605     -2.725687      0.622737
     25        Nb      5.241798     -6.613996      3.368592
     26        Nb     -4.774018     -3.024649     -1.127839
     27         O     -6.302710     -2.596905      3.704426
     28         O      6.850285     -2.408249      1.610451
     29         H      0.360780     -5.266640     -0.372164
     30         O    -11.011535     -1.621088      0.237948
     31         O      7.823043     -5.000052      1.259373
     32         O     -5.349471     -4.806751     -0.799781
     33        Nb     -7.412841     -4.857312     -0.444511
     34        Nb      4.080680      0.644749     -0.615377
     35        Nb     -9.290527     -1.980916     -0.078065
     36         H      1.708567     -0.526594     -0.243204
     37        Nb      6.350518     -5.852511      0.216676
     38        Nb     -1.373656     -3.407659      0.130110
     39        Nb     -7.441083     -2.483984     -2.946257
     40         O     -7.614768     -4.376413     -2.383418
     41         O      1.485939     -5.962533      0.337109
     42        Nb      7.362422     -3.967837      2.898287
     43         O      3.227285     -3.471012      0.204783
     44         O     -6.682346     -2.471320     -0.499406
     45         O      8.952081     -3.465794      3.556520
     46         O      3.443265     -6.764488      2.384433
     47         O      5.732351      1.374445     -1.554112
     48         O     -4.517569     -2.796916      1.179396
     49         O     -5.907467     -0.547689      1.399478
     50         O      2.808141      0.965937     -1.865731
     51         O     -2.824796     -3.276585     -1.177077
     52         O      2.363641     -4.054293      2.575245
     53         H      5.914287      0.917667     -2.397945
     54         O     -9.152304     -3.968537     -0.077825
     55         O     -2.062302     -4.206885      1.560636
     56         O     -5.312257     -2.854729     -2.905510
     57         O     -6.804263     -0.569260     -2.562805
     58         O     -8.434792     -2.030009      1.784611
     59         O      2.454133     -0.647116      0.377585
     60         O     -3.377242     -0.958103      3.047955
     61         O      0.366920     -2.553861      0.731163
     62         O      5.061772     -1.165515     -0.429865
     63         O     -6.888982     -4.422567      1.493329
     64         O     -6.153047      1.662806     -0.770116
     65         O     -9.146568     -2.033211     -2.084086
     66         O     -7.801044     -2.487588     -4.697949
     67         H     -1.268856     -0.912563      1.002809
     68         O      4.023506      1.861540      0.711004
     69         O      4.056376     -2.009425      2.233162
     70         O     -2.000423     -1.310820      0.489747
     71         O      5.084635     -4.518098      1.946089
     72         H     -3.866164     -3.430218      1.569433
end

charge -11

