
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      2.533500     -2.582100     -4.322000
      2         O     -0.112600     -2.466100     -3.901700
      3         O     -0.796400     -4.140500     -6.012000
      4         O      0.228800     -1.517400     -6.514200
      5         O      1.479000     -4.744100     -4.054200
      6         O      1.826400     -7.464500     -4.995400
      7         O      0.380000     -6.201000     -1.722700
      8         O     -0.667900     -6.520600     -4.273700
      9         O      1.193800     -8.372200     -2.729400
     10         O      3.080100     -6.080200     -2.844700
     11         O      4.478200     -4.509300     -4.615700
     12         O      2.082200     -3.567200     -1.419100
     13         O      2.874100    -10.717400     -2.708900
     14         O      0.205900    -10.802000     -1.734500
     15         O      6.267500      1.650400     -2.585000
     16         O      4.081900      3.382300     -1.963900
     17         O      6.746800     -3.409700     -0.001700
     18        Mo      3.362000     -4.146900     -3.360000
     19         O      5.504000     -6.647200     -0.009700
     20        Mo      1.593200     -9.785600     -1.565900
     21         O      1.154700     -8.583600     -0.007300
     22        Mo      4.644300      1.810700     -1.544700
     23         O      4.289500     -2.375000     -2.716300
     24         O     -0.806300      0.660400     -7.895400
     25         O      0.743600      2.228700     -6.159200
     26         O      6.449400     -1.116400     -1.664300
     27         O      1.463100     -1.025000     -2.303200
     28        Mo      3.041700     -4.085500     -0.007700
     29         O      3.568800      1.248600     -0.008500
     30        Mo      0.538300      0.381600     -6.826900
     31         O      3.909400     -8.395500     -1.645100
     32         H      2.494200     -8.102700     -4.669800
     33         O      4.585700     -0.660300     -4.967500
     34         H      2.849600     -3.561200     -6.309200
     35         H     -2.346700      3.553100     -6.270200
     36         O      4.456300     -2.580300     -0.005200
     37         H      6.748700     -4.676900     -2.876800
     38         O      3.002100     -5.901800     -0.009200
     39         O     -1.015100      0.342700     -4.872500
     40        Mo      4.581000     -6.771000     -1.720500
     41        Mo      5.848900     -2.738300     -1.599100
     42        Mo      3.178800     -0.736500     -3.954000
     43        Mo      0.468500     -3.090100     -5.459800
     44        Mo      0.894400     -6.530100     -3.557700
     45         H      1.741400     -1.780500     -1.732600
     46         O      1.949700     -3.770500     -6.627600
     47         O      1.915100      0.319400     -7.886500
     48         H      0.764900     -1.481700     -2.875100
     49         O      4.555000     -4.554200     -1.726700
     50         H      0.796800     -6.824500     -1.079500
     51         O      6.960500     -3.712700     -2.796600
     52         O      3.700100      0.553800     -2.612300
     53         O      1.926100      0.050400     -4.909400
     54         O      2.510800    -10.602600     -0.020000
     55         H      3.761600    -10.304700     -2.620100
     56         O      5.852800      2.029800      0.005000
     57         H      6.784000      0.833700     -2.392400
     58         O      5.932500     -6.818000     -2.821500
     59         H      2.835500     -3.571800      6.294400
     60         H      2.499600     -8.114500      4.649100
     61         O      5.934700     -6.827900      2.802100
     62         O      1.898900      0.035900      4.893500
     63         O      3.672600      0.546700      2.596400
     64         O      6.952100     -3.715000      2.795300
     65         O      4.553500     -4.558000      1.714400
     66         O      1.931200      0.292500      7.861400
     67         O      1.937000     -3.783900      6.614300
     68         O     -1.081200      0.342800      4.936500
     69         O      4.560000     -0.661400      4.953200
     70         O      3.911300     -8.401100      1.621000
     71         O      1.438700     -1.042200      2.288000
     72         O      6.440700     -1.118500      1.664200
     73         O      0.741500      2.200400      6.145400
     74         O     -0.786200      0.647900      7.926500
     75         O      4.279500     -2.380200      2.706000
     76         O      4.058100      3.375500      1.958800
     77         O      6.239400      1.642800      2.596800
     78         O      0.205100    -10.819200      1.695600
     79         O      2.879600    -10.745800      2.662100
     80         O      2.083200     -3.573100      1.404000
     81         O      4.472400     -4.515000      4.604200
     82         O      3.084700     -6.091200      2.830400
     83         O      1.192500     -8.402500      2.716900
     84         O     -0.668500     -6.540800      4.242900
     85         O      0.412500     -6.236300      1.699300
     86         O      1.829000     -7.479900      4.976600
     87         O      1.476900     -4.759200      4.040100
     88         O      0.215300     -1.535400      6.515000
     89         O     -0.812100     -4.160100      5.996100
     90         O     -0.126500     -2.472300      3.897100
     91         O      2.520300     -2.593800      4.307500
     92        Mo      0.898700     -6.545400      3.538100
     93        Mo      0.451400     -3.104200      5.449200
     94        Mo      3.154100     -0.746400      3.938600
     95        Mo      5.843500     -2.741600      1.593500
     96        Mo      4.582400     -6.776900      1.702300
     97        Mo      0.533500      0.360900      6.828700
     98        Mo      4.626400      1.805400      1.541600
     99        Mo      1.591300     -9.799100      1.539900
    100        Mo      3.356400     -4.154900      3.347600
    101         H      6.759500      0.827800      2.407100
    102         H      3.767700    -10.335300      2.569900
    103         H      0.850800     -6.855000      1.064500
    104         H      0.734900     -1.490900      2.857800
    105         H      1.711400     -1.801300      1.719700
    106         H      6.741000     -4.679400      2.873600
    107         H     -2.329100      3.568900      6.308500
    108         O     -2.187100      2.747000      4.329100
    109         O      0.356200      3.162400      3.532200
    110         O      1.010800      4.972300      5.534900
    111         O     -1.683200      5.111300      3.980200
    112         O     -2.712000      7.651900      4.960500
    113         O     -1.060900      6.811100      1.663200
    114         O     -0.070800      7.399100      4.196100
    115         O     -2.405600      8.692200      2.672400
    116         O     -3.617100      6.013000      2.831300
    117         O     -4.532800      4.162700      4.629900
    118         O     -2.018100      3.806500      1.428900
    119         O     -4.651500     10.524100      2.669600
    120         O     -2.118900     11.288700      1.656700
    121         O     -5.173300     -2.340200      2.592800
    122         O     -2.659000     -3.437300      1.986600
    123         O     -3.871900      2.128200      2.748400
    124         O     -5.638700      0.366800      1.695400
    125         O     -0.996900      1.300800      2.242300
    126         O     -5.041700      8.024400      1.624100
    127         O     -3.827800      0.480000      5.071200
    128         O     -1.468100      3.963900      6.550400
    129         O     -4.647500      4.153500      1.729600
    130         O     -6.781100      2.772500      2.791900
    131         O     -2.859900     -0.657000      2.722000
    132         O     -6.560300      5.959900      2.814700
    133         O     -6.559600      5.919600     -2.810300
    134         O     -4.564100     -2.338200     -0.031000
    135         O     -4.316100     10.484200     -0.025300
    136         O     -2.607500     -0.687000     -2.571300
    137         O     -6.745800      2.734500     -2.790500
    138         O     -4.634800      4.140200     -1.705900
    139         O     -1.497900      3.961300     -6.533100
    140         O     -3.495600      5.851900      0.010200
    141         O     -4.058100      2.263900      0.027400
    142         O     -3.763700      0.364700     -4.894900
    143         O     -5.058500      8.010400     -1.649300
    144         O     -2.484800     -1.219200      0.051100
    145         O     -0.897300      1.387400     -2.189900
    146         O     -5.588400      0.353700     -1.644600
    147         O     -3.822700      2.108400     -2.683100
    148         O     -2.470800      8.902500     -0.061700
    149         O     -6.103100      5.901500      0.003500
    150         O     -6.488000      2.498000      0.007000
    151         O     -2.288900     -3.568000     -1.824500
    152         O     -4.816300     -2.288500     -2.526000
    153         O     -2.201200     11.323200     -1.772200
    154         O     -4.749800     10.513900     -2.725300
    155         O     -2.007600      3.806600     -1.385500
    156         O     -4.514200      4.111100     -4.598600
    157         O     -3.620800      5.996700     -2.825300
    158         O     -2.460200      8.723900     -2.772600
    159         O     -0.109300      7.406100     -4.243600
    160         O     -1.089200      6.914100     -1.687600
    161         O     -2.751100      7.599300     -5.010100
    162         O     -1.684700      5.104800     -3.962300
    163         O      0.997300      5.009100     -5.596700
    164         O      0.396000      3.223500     -3.551200
    165         O     -2.162500      2.723800     -4.296000
    166        Mo     -3.381100      4.077800      3.359500
    167        Mo     -3.188900      9.939800      1.513200
    168        Mo     -3.541500     -2.011100      1.652600
    169        Mo     -5.245700      6.279600      1.712700
    170        Mo     -5.459000      2.088500      1.613400
    171        Mo     -2.492100      0.825300      4.018300
    172        Mo     -0.045300      3.640200      5.197500
    173        Mo     -1.592800      6.991600      3.508600
    174        Mo     -1.623700      7.002100     -3.535600
    175        Mo     -0.039700      3.674300     -5.215500
    176        Mo     -2.403100      0.816500     -3.917900
    177        Mo     -5.441700      2.074700     -1.576900
    178        Mo     -5.249700      6.262800     -1.709700
    179        Mo     -3.068400      4.086400      0.019900
    180        Mo     -3.250500     -2.002200     -1.463400
    181        Mo     -3.250800      9.961000     -1.602500
    182        Mo     -3.364600      4.057300     -3.324400
    183         H     -6.817900      3.761500      2.864500
    184         H     -1.467100      1.906700      1.627700
    185         H     -0.371800      1.958700      2.702900
    186         H     -1.655100      7.283600      1.031800
    187         H     -5.406900      9.900700      2.592300
    188         H     -5.856900     -1.642700      2.461300
    189         H     -3.544900      8.061600      4.647000
    190         H     -5.652800     -1.870500     -2.216700
    191         H     -5.486400      9.869100     -2.642400
    192         H     -1.650100      7.460100     -1.076400
    193         H     -0.284700      2.027500     -2.690600
    194         H     -1.367300      2.028200     -1.607000
    195         H     -6.787100      3.722200     -2.876000
    196         H     -3.576600      8.030700     -4.706200
    197         H     -1.563200     -3.872300     -1.233400
end

charge -7

