
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         O     -3.074038      1.101629      0.957761
      2         O      4.411622     -6.065107     -0.334251
      3         O     -7.969191      0.147354     -0.634561
      4         O      3.422037     -2.846857      5.195224
      5         O     -0.674483     -5.378306     -0.076113
      6         O      7.290897     -5.515282      3.489437
      7         O      1.440942     -1.938379      3.604844
      8         O      7.195941     -6.342968     -1.476372
      9         O      5.985956     -8.144731      4.058731
     10         O      4.688487     -5.442563      4.447372
     11        Ta      3.227090     -5.575728      1.087403
     12        Ta      4.353167     -3.646168      3.850673
     13         H      2.099760     -2.154083      4.341677
     14        Ta      1.989362     -2.662939      1.885065
     15         O      6.158626     -3.038584      4.036768
     16        Ta     -3.694820     -0.549524      1.117147
     17        Ta     -6.647649     -2.195636      1.820792
     18         O     -4.196798     -1.074365     -0.825304
     19         O     -8.114413     -6.285272     -0.221832
     20        Ta     -6.087530     -0.029030     -0.995040
     21         O      5.776969     -3.752743     -0.729073
     22         O      6.422994     -7.019735      1.323190
     23         H     -2.981962     -0.076575      3.491471
     24        Ta      5.024955     -2.655412      0.632072
     25        Ta      5.689981     -6.637872      3.131337
     26        Ta     -4.668184     -3.135993     -1.003228
     27         O     -6.508333     -2.092752      3.598721
     28         O      6.670338     -2.219513      1.479884
     29         H      0.290745     -5.727441      0.173316
     30         O    -10.778058     -0.963241     -0.319171
     31         O      7.844720     -4.658307      0.895037
     32         O     -5.481939     -4.795989     -0.579331
     33        Ta     -7.536059     -4.596152     -0.395768
     34        Ta      3.347176      0.543810     -0.432674
     35        Ta     -9.085848     -1.534591     -0.452251
     36         H      1.266600     -0.830070      0.173479
     37        Ta      6.387341     -5.607526     -0.052819
     38        Ta     -1.495621     -3.790602      0.566052
     39        Ta     -7.098069     -2.497784     -3.078647
     40         O     -7.538266     -4.282821     -2.365411
     41         O      1.611599     -6.213078      0.534104
     42        Ta      7.454678     -3.755706      2.614892
     43         O      3.085805     -3.571227      0.372829
     44         O     -6.545708     -2.326924     -0.592111
     45         O      9.047681     -3.127789      3.151709
     46         O      3.842322     -6.914857      2.317920
     47         O      4.617240      1.478777     -1.657913
     48         O     -4.576513     -2.727816      1.256063
     49         O     -5.696918     -0.352604      1.162564
     50         O      1.830575      0.581011     -1.436261
     51         O     -2.786287     -3.624023     -0.885982
     52         O      2.557862     -4.365419      2.765018
     53         H      4.551394      1.188855     -2.587497
     54         O     -9.175598     -3.501755     -0.259483
     55         O     -2.458988     -4.302123      1.983473
     56         O     -5.070788     -3.079264     -2.824305
     57         O     -6.297979     -0.647088     -2.806936
     58         O     -8.389349     -1.490783      1.460524
     59         O      2.013696     -0.895033      0.805711
     60         O     -3.410388     -0.836327      3.052859
     61         O      0.247124     -3.069000      1.217577
     62         O      4.580334     -1.060321     -0.285474
     63         O     -7.115673     -4.039282      1.515603
     64         O     -5.540035      1.663915     -1.187888
     65         O     -8.797180     -1.795123     -2.405544
     66         O     -7.339143     -2.629525     -4.849173
     67         H     -1.170751     -1.250726      1.238478
     68         O      3.322970      1.767111      0.891576
     69         O      3.944885     -2.146423      2.385311
     70         O     -1.895763     -1.616132      0.693269
     71         O      5.169151     -4.492152      1.848326
     72         H     -4.002830     -3.390686      1.737540
end

charge -11

