
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      5.748912      2.712608      4.330912
      2         O      3.559660      1.337591      3.640546
      3         O      2.103480      2.408221      5.812989
      4         O      4.355189      0.768842      6.275529
      5         O      3.771822      4.103637      4.004553
      6         O      2.840922      6.691999      5.002477
      7         O      2.109153      4.960107      1.714446
      8         O      1.057687      4.713460      4.273082
      9         O      1.805803      7.238266      2.746625
     10         O      4.539439      6.050808      2.830158
     11         O      6.483057      5.344479      4.631505
     12         O      4.898286      3.347057      1.412946
     13         O      2.234836     10.105038      2.692152
     14         O     -0.146146      8.944731      1.701717
     15         O     11.461579      1.232603      2.662898
     16         O     10.358886     -1.225142      1.765046
     17         O      9.011863      5.510360      0.000000
     18        Mo      5.706026      4.489884      3.359075
     19         O      6.416397      7.695234      0.000000
     20        Mo      1.552311      8.677804      1.550610
     21         O      1.717349      7.398104      0.000000
     22        Mo     10.098444      0.458034      1.537675
     23         O      7.391639      3.414602      2.738550
     24         O      4.382070     -1.684633      7.676143
     25         O      6.636166     -2.373651      6.127321
     26         O      9.861351      3.323138      1.618526
     27         O      5.860366      0.844300      2.240540
     28        Mo      5.468496      4.267632      0.000000
     29         O      8.880277      0.593085      0.000000
     30        Mo      5.549634     -0.894801      6.662049
     31         O      4.157490      8.469392      1.609462
     32         H      3.191810      7.559672      4.712288
     33         O      8.464860      2.246410      5.129630
     34         H      5.376665      3.915695      6.361696
     35         H      4.547384     -4.888617      6.359514
     36         O      7.429508      3.651281      0.000000
     37         H      8.456210      6.610145      2.882330
     38         O      4.561332      5.845114      0.000000
     39         O      4.283151     -1.469463      4.772232
     40        Mo      5.528419      7.369934      1.699132
     41        Mo      8.568595      4.477210      1.591381
     42        Mo      7.365028      1.531839      3.997555
     43        Mo      3.753817      2.234728      5.374267
     44        Mo      2.413416      5.477633      3.544952
     45         H      5.729330      1.628113      1.659257
     46         O      4.486104      3.576640      6.589465
     47         O      6.605435     -0.093717      7.784700
     48         H      4.979158      0.826913      2.713402
     49         O      6.565806      5.419425      1.726742
     50         H      2.209465      5.700163      1.066368
     51         O      9.086491      5.851166      2.790203
     52         O      8.620949      0.824612      2.723560
     53         O      6.702424      0.145136      4.863558
     54         O      1.988328      9.820252      0.000000
     55         H      3.210793     10.178481      2.609784
     56         O     11.272319      0.881364      0.000000
     57         H     11.604712      2.195151      2.527781
     58         O      6.678671      8.065027      2.807383
     59         H      5.376665      3.915695     -6.361696
     60         H      3.191810      7.559672     -4.712288
     61         O      6.678671      8.065027     -2.807383
     62         O      6.702424      0.145136     -4.863558
     63         O      8.620949      0.824612     -2.723560
     64         O      9.086491      5.851166     -2.790203
     65         O      6.565806      5.419425     -1.726742
     66         O      6.605435     -0.093717     -7.784700
     67         O      4.486104      3.576640     -6.589465
     68         O      4.283151     -1.469463     -4.772232
     69         O      8.464860      2.246410     -5.129630
     70         O      4.157490      8.469392     -1.609462
     71         O      5.860366      0.844300     -2.240540
     72         O      9.861351      3.323138     -1.618526
     73         O      6.636166     -2.373651     -6.127321
     74         O      4.382070     -1.684633     -7.676143
     75         O      7.391639      3.414602     -2.738550
     76         O     10.358886     -1.225142     -1.765046
     77         O     11.461579      1.232603     -2.662898
     78         O     -0.146146      8.944731     -1.701717
     79         O      2.234836     10.105038     -2.692152
     80         O      4.898286      3.347057     -1.412946
     81         O      6.483057      5.344479     -4.631505
     82         O      4.539439      6.050808     -2.830158
     83         O      1.805803      7.238266     -2.746625
     84         O      1.057687      4.713460     -4.273082
     85         O      2.109153      4.960107     -1.714446
     86         O      2.840922      6.691999     -5.002477
     87         O      3.771822      4.103637     -4.004553
     88         O      4.355189      0.768842     -6.275529
     89         O      2.103480      2.408221     -5.812989
     90         O      3.559660      1.337591     -3.640546
     91         O      5.748912      2.712608     -4.330912
     92        Mo      2.413416      5.477633     -3.544952
     93        Mo      3.753817      2.234728     -5.374267
     94        Mo      7.365028      1.531839     -3.997555
     95        Mo      8.568595      4.477210     -1.591381
     96        Mo      5.528419      7.369934     -1.699132
     97        Mo      5.549634     -0.894801     -6.662049
     98        Mo     10.098444      0.458034     -1.537675
     99        Mo      1.552311      8.677804     -1.550610
    100        Mo      5.706026      4.489884     -3.359075
    101         H     11.604712      2.195151     -2.527781
    102         H      3.210793     10.178481     -2.609784
    103         H      2.209465      5.700163     -1.066368
    104         H      4.979158      0.826913     -2.713402
    105         H      5.729330      1.628113     -1.659257
    106         H      8.456210      6.610145     -2.882330
    107         H      4.547384     -4.888617     -6.359514
    108         O      4.406607     -4.150583     -4.274284
    109         O      6.850910     -3.343312     -3.527326
    110         O      8.184872     -4.726549     -5.536794
    111         O      5.947594     -5.996503     -3.998518
    112         O      6.155414     -8.724374     -5.006660
    113         O      7.292578     -7.244165     -1.706574
    114         O      8.414590     -7.324255     -4.256968
    115         O      6.993972     -9.524091     -2.740794
    116         O      4.661795     -7.700677     -2.842759
    117         O      2.981583     -6.484122     -4.637629
    118         O      5.020347     -5.005911     -1.408482
    119         O      5.853030    -12.182661     -2.690442
    120         O      8.453636    -11.669066     -1.697303
    121         O     -0.601245     -0.989623     -2.569083
    122         O      1.280218      1.063812     -1.943223
    123         O      2.596773     -4.408380     -2.735971
    124         O      0.201762     -3.701393     -1.671110
    125         O      4.786791     -2.334809     -2.157777
    126         O      4.386748    -10.124855     -1.620935
    127         O      1.954367     -2.911522     -5.098499
    128         O      5.506718     -4.905504     -6.547393
    129         O      2.871751     -6.563428     -1.732569
    130         O      0.330463     -6.341708     -2.795742
    131         O      2.176495     -1.559215     -2.665913
    132         O      2.051437     -9.075616     -2.812508
    133         O      2.051437     -9.075616      2.812508
    134         O     -0.246249     -0.625865      0.000000
    135         O      6.157192    -11.965704      0.000000
    136         O      2.176495     -1.559215      2.665913
    137         O      0.330463     -6.341708      2.795742
    138         O      2.871751     -6.563428      1.732569
    139         O      5.506718     -4.905504      6.547393
    140         O      4.686797     -7.498951      0.000000
    141         O      2.485580     -4.625826      0.000000
    142         O      1.954367     -2.911522      5.098499
    143         O      4.386748    -10.124855      1.620935
    144         O      2.120239     -0.983538      0.000000
    145         O      4.786791     -2.334809      2.157777
    146         O      0.201762     -3.701393      1.671110
    147         O      2.596773     -4.408380      2.735971
    148         O      7.043304     -9.695437      0.000000
    149         O      2.414955     -8.794772      0.000000
    150         O      0.466357     -5.990332      0.000000
    151         O      1.280218      1.063812      1.943223
    152         O     -0.601245     -0.989623      2.569083
    153         O      8.453636    -11.669066      1.697303
    154         O      5.853030    -12.182661      2.690442
    155         O      5.020347     -5.005911      1.408482
    156         O      2.981583     -6.484122      4.637629
    157         O      4.661795     -7.700677      2.842759
    158         O      6.993972     -9.524091      2.740794
    159         O      8.414590     -7.324255      4.256968
    160         O      7.292578     -7.244165      1.706574
    161         O      6.155414     -8.724374      5.006660
    162         O      5.947594     -5.996503      3.998518
    163         O      8.184872     -4.726549      5.536794
    164         O      6.850910     -3.343312      3.527326
    165         O      4.406607     -4.150583      4.274284
    166        Mo      3.957786     -5.886915     -3.357904
    167        Mo      6.879279    -10.975438     -1.549367
    168        Mo      0.989143     -0.599415     -1.551840
    169        Mo      3.347582     -8.707172     -1.706711
    170        Mo      1.171586     -5.129710     -1.601594
    171        Mo      3.212550     -2.604865     -3.946711
    172        Mo      6.641223     -4.055135     -5.142336
    173        Mo      6.887655     -7.663600     -3.546301
    174        Mo      6.887655     -7.663600      3.546301
    175        Mo      6.641223     -4.055135      5.142336
    176        Mo      3.212550     -2.604865      3.946711
    177        Mo      1.171586     -5.129710      1.601594
    178        Mo      3.347582     -8.707172      1.706711
    179        Mo      4.218587     -5.741730      0.000000
    180        Mo      0.989143     -0.599415      1.551840
    181        Mo      6.879279    -10.975438      1.549367
    182        Mo      3.957786     -5.886915      3.357904
    183         H      0.758890     -7.232336     -2.874067
    184         H      4.680691     -3.114679     -1.567962
    185         H      5.636714     -2.592809     -2.638599
    186         H      7.001314     -7.937763     -1.065007
    187         H      4.892624    -11.992633     -2.609880
    188         H     -1.104550     -1.776369     -2.263847
    189         H      5.555870     -9.440657     -4.711050
    190         H     -1.104550     -1.776369      2.263847
    191         H      4.892624    -11.992633      2.609880
    192         H      7.001314     -7.937763      1.065007
    193         H      5.636714     -2.592809      2.638599
    194         H      4.680691     -3.114679      1.567962
    195         H      0.758890     -7.232336      2.874067
    196         H      5.555870     -9.440657      4.711050
    197         H      2.704988      1.445323      3.152924
    198         H      2.704988      1.445323     -3.152924
end

charge -6

