
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      0.853300     -3.688700     -4.199200
      2         O     -1.424000     -2.545100     -3.382000
      3         O     -2.972800     -3.603200     -5.429500
      4         O     -1.155500     -1.469700     -5.954900
      5         O     -0.938900     -5.308300     -3.955800
      6         O     -1.614800     -7.950700     -4.986000
      7         O     -2.471400     -6.342900     -1.667900
      8         O     -3.592000     -6.189000     -4.208700
      9         O     -2.531900     -8.628400     -2.726000
     10         O      0.070700     -7.201300     -2.831000
     11         O      1.893300     -6.224500     -4.643600
     12         O      0.154400     -4.487000     -1.398000
     13         O     -1.855000    -11.439700     -2.691700
     14         O     -4.348600    -10.501100     -1.708300
     15         O      6.298000     -1.578800     -2.618100
     16         O      5.024200      0.875700     -1.872800
     17         O      4.480400     -6.202400      0.000000
     18        Mo      1.046700     -5.498500     -3.336300
     19         O      2.108100     -8.649400      0.000000
     20        Mo     -2.679000    -10.082800     -1.554300
     21         O     -2.624400     -8.794300      0.000000
     22        Mo      4.887200     -0.808000     -1.544700
     23         O      2.655000     -4.273500     -2.724100
     24         O     -1.083000      0.827900     -7.596100
     25         O      1.155500      1.469700     -5.954900
     26         O      5.171100     -4.035700     -1.707100
     27         O      0.776000     -1.847900     -2.074600
     28        Mo      0.836000     -5.351200      0.000000
     29         O      3.683700     -0.965600      0.000000
     30        Mo      0.000000      0.000000     -6.516700
     31         O     -0.029800     -9.660700     -1.636900
     32         H     -1.206200     -8.788400     -4.684300
     33         O      3.427000     -2.808600     -5.100200
     34         H      0.559600     -4.339900     -6.246600
     35         H     -0.559600      4.339900     -6.246600
     36         O      2.730600     -4.521400      0.000000
     37         H      3.927400     -7.399600     -2.850800
     38         O      0.089300     -7.010800      0.000000
     39         O     -1.366900      1.021000     -4.690700
     40        Mo      1.205400     -8.408700     -1.710600
     41        Mo      3.931300     -5.241500     -1.608600
     42        Mo      2.263800     -2.313200     -3.908900
     43        Mo     -1.345000     -3.142300     -5.054700
     44        Mo     -2.132200     -6.778500     -3.516200
     45         H      0.808900     -2.632100     -1.484400
     46         O     -0.372200     -4.154700     -6.476300
     47         O      1.083000     -0.827900     -7.596100
     48         H     -0.111900     -2.010800     -2.536500
     49         O      2.019400     -6.365100     -1.730700
     50         H     -2.324600     -7.098000     -1.045400
     51         O      4.526400     -6.609600     -2.785700
     52         O      3.478300     -1.451400     -2.656900
     53         O      1.366900     -1.021000     -4.690700
     54         O     -2.136800    -11.177300      0.000000
     55         H     -0.876800    -11.388100     -2.615600
     56         O      6.085000     -1.125300      0.000000
     57         H      6.407200     -2.543300     -2.450100
     58         O      2.444100     -8.955400     -2.814300
     59         H      0.559600     -4.339900      6.246600
     60         H     -1.206200     -8.788400      4.684300
     61         O      2.444100     -8.955400      2.814300
     62         O      1.366900     -1.021000      4.690700
     63         O      3.478300     -1.451400      2.656900
     64         O      4.526400     -6.609600      2.785700
     65         O      2.019400     -6.365100      1.730700
     66         O      1.083000     -0.827900      7.596100
     67         O     -0.372200     -4.154700      6.476300
     68         O     -1.366900      1.021000      4.690700
     69         O      3.427000     -2.808600      5.100200
     70         O     -0.029800     -9.660700      1.636900
     71         O      0.776000     -1.847900      2.074600
     72         O      5.171100     -4.035700      1.707100
     73         O      1.155500      1.469700      5.954900
     74         O     -1.083000      0.827900      7.596100
     75         O      2.655000     -4.273500      2.724100
     76         O      5.024200      0.875700      1.872800
     77         O      6.298000     -1.578800      2.618100
     78         O     -4.348600    -10.501100      1.708300
     79         O     -1.855000    -11.439700      2.691700
     80         O      0.154400     -4.487000      1.398000
     81         O      1.893300     -6.224500      4.643600
     82         O      0.070700     -7.201300      2.831000
     83         O     -2.531900     -8.628400      2.726000
     84         O     -3.592000     -6.189000      4.208700
     85         O     -2.471400     -6.342900      1.667900
     86         O     -1.614800     -7.950700      4.986000
     87         O     -0.938900     -5.308300      3.955800
     88         O     -1.155500     -1.469700      5.954900
     89         O     -2.972800     -3.603200      5.429500
     90         O     -1.424000     -2.545100      3.382000
     91         O      0.853300     -3.688700      4.199200
     92        Mo     -2.132200     -6.778500      3.516200
     93        Mo     -1.345000     -3.142300      5.054700
     94        Mo      2.263800     -2.313200      3.908900
     95        Mo      3.931300     -5.241500      1.608600
     96        Mo      1.205400     -8.408700      1.710600
     97        Mo      0.000000      0.000000      6.516700
     98        Mo      4.887200     -0.808000      1.544700
     99        Mo     -2.679000    -10.082800      1.554300
    100        Mo      1.046700     -5.498500      3.336300
    101         H      6.407200     -2.543300      2.450100
    102         H     -0.876800    -11.388100      2.615600
    103         H     -2.324600     -7.098000      1.045400
    104         H     -0.111900     -2.010800      2.536500
    105         H      0.808900     -2.632100      1.484400
    106         H      3.927400     -7.399600      2.850800
    107         H     -0.559600      4.339900      6.246600
    108         O     -0.853300      3.688700      4.199200
    109         O      1.424000      2.545100      3.382000
    110         O      2.972800      3.603200      5.429500
    111         O      0.938900      5.308300      3.955800
    112         O      1.614800      7.950700      4.986000
    113         O      2.471400      6.342900      1.667900
    114         O      3.592000      6.189000      4.208700
    115         O      2.531900      8.628400      2.726000
    116         O     -0.070700      7.201300      2.831000
    117         O     -1.893300      6.224500      4.643600
    118         O     -0.154400      4.487000      1.398000
    119         O      1.855000     11.439700      2.691700
    120         O      4.348600     10.501100      1.708300
    121         O     -6.298000      1.578800      2.618100
    122         O     -5.024200     -0.875700      1.872800
    123         O     -2.655000      4.273500      2.724100
    124         O     -5.171100      4.035700      1.707100
    125         O     -0.776000      1.847900      2.074600
    126         O      0.029800      9.660700      1.636900
    127         O     -3.427000      2.808600      5.100200
    128         O      0.372200      4.154700      6.476300
    129         O     -2.019400      6.365100      1.730700
    130         O     -4.526400      6.609600      2.785700
    131         O     -3.478300      1.451400      2.656900
    132         O     -2.444100      8.955400      2.814300
    133         O     -2.444100      8.955400     -2.814300
    134         O     -6.085000      1.125300      0.000000
    135         O      2.136800     11.177300      0.000000
    136         O     -3.478300      1.451400     -2.656900
    137         O     -4.526400      6.609600     -2.785700
    138         O     -2.019400      6.365100     -1.730700
    139         O      0.372200      4.154700     -6.476300
    140         O     -0.089300      7.010800      0.000000
    141         O     -2.730600      4.521400      0.000000
    142         O     -3.427000      2.808600     -5.100200
    143         O      0.029800      9.660700     -1.636900
    144         O     -3.683700      0.965600      0.000000
    145         O     -0.776000      1.847900     -2.074600
    146         O     -5.171100      4.035700     -1.707100
    147         O     -2.655000      4.273500     -2.724100
    148         O      2.624400      8.794300      0.000000
    149         O     -2.108100      8.649400      0.000000
    150         O     -4.480400      6.202400      0.000000
    151         O     -5.024200     -0.875700     -1.872800
    152         O     -6.298000      1.578800     -2.618100
    153         O      4.348600     10.501100     -1.708300
    154         O      1.855000     11.439700     -2.691700
    155         O     -0.154400      4.487000     -1.398000
    156         O     -1.893300      6.224500     -4.643600
    157         O     -0.070700      7.201300     -2.831000
    158         O      2.531900      8.628400     -2.726000
    159         O      3.592000      6.189000     -4.208700
    160         O      2.471400      6.342900     -1.667900
    161         O      1.614800      7.950700     -4.986000
    162         O      0.938900      5.308300     -3.955800
    163         O      2.972800      3.603200     -5.429500
    164         O      1.424000      2.545100     -3.382000
    165         O     -0.853300      3.688700     -4.199200
    166        Mo     -1.046700      5.498500      3.336300
    167        Mo      2.679000     10.082800      1.554300
    168        Mo     -4.887200      0.808000      1.544700
    169        Mo     -1.205400      8.408700      1.710600
    170        Mo     -3.931300      5.241500      1.608600
    171        Mo     -2.263800      2.313200      3.908900
    172        Mo      1.345000      3.142300      5.054700
    173        Mo      2.132200      6.778500      3.516200
    174        Mo      2.132200      6.778500     -3.516200
    175        Mo      1.345000      3.142300     -5.054700
    176        Mo     -2.263800      2.313200     -3.908900
    177        Mo     -3.931300      5.241500     -1.608600
    178        Mo     -1.205400      8.408700     -1.710600
    179        Mo     -0.836000      5.351200      0.000000
    180        Mo     -4.887200      0.808000     -1.544700
    181        Mo      2.679000     10.082800     -1.554300
    182        Mo     -1.046700      5.498500     -3.336300
    183         H     -3.927400      7.399600      2.850800
    184         H     -0.808900      2.632100      1.484400
    185         H      0.111900      2.010800      2.536500
    186         H      2.324600      7.098000      1.045400
    187         H      0.876800     11.388100      2.615600
    188         H     -6.407200      2.543300      2.450100
    189         H      1.206200      8.788400      4.684300
    190         H     -6.407200      2.543300     -2.450100
    191         H      0.876800     11.388100     -2.615600
    192         H      2.324600      7.098000     -1.045400
    193         H      0.111900      2.010800     -2.536500
    194         H     -0.808900      2.632100     -1.484400
    195         H     -3.927400      7.399600     -2.850800
    196         H      1.206200      8.788400     -4.684300
end

charge -8

