Basis
  Core Small
  Type TZP
end

Charge -6

NumericalQuality Good

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
    Mo=1.992
    O=1.720
    H=1.300
    SubEnd
end

XC
  GGA PBE
end

atoms
      1         O     -7.473400      3.946700      2.783700 
      2         O     -4.491400      8.590300      1.532400 
      3         H     -2.649900      8.537100     -4.930400 
      4         H     -2.701300      3.249500      6.186600 
      5         O     -3.260200     -0.999600      2.691800 
      6         O     -6.516800      7.041600      2.780400 
      7         O     -6.393600      6.803200     -2.826100 
      8         O     -5.372000     -1.507100     -0.133200 
      9         O     -3.524400     10.876500     -0.098900 
     10         O     -2.863300     -1.174100     -2.807300 
     11         O     -7.223400      3.746000     -2.811200 
     12         O     -4.863200      4.715800     -1.696000 
     13         O     -2.212600      3.811100     -6.385600 
     14         O     -3.493200      6.131200      0.097200 
     15         O      0.073800      7.089300      4.235700 
     16         O     -1.863000      8.712100      2.588600 
     17         O     -4.789700      2.778600      0.107800 
     18         O     -4.101000      0.607200     -4.586700 
     19         O     -4.475400      8.479300     -1.614500 
     20         O     -3.013800     -1.921100     -0.006600 
     21         O     -2.034900      1.127500     -1.836800 
     22         O     -3.664800      6.392500      2.928000 
     23         O     -6.773100      1.204200     -1.601700 
     24         O     -2.874500      2.842500      4.262600 
     25         O      0.070500      2.167900     -6.351500 
     26         O     -4.546300      2.499900     -2.569900 
     27         O     -4.668900      0.431100      4.343100 
     28         O     -1.919300      9.058800     -0.225300 
     29         O     -4.903300      4.727200      4.735600 
     30         O     -0.267900      2.731700      3.475000 
     31         O     -6.057200      6.724800     -0.006900 
     32         O     -7.077500      3.558800     -0.008500 
     33         O     -4.200200     -3.651100     -1.976400 
     34         O      0.677500      4.451000      5.452600 
     35         H     -3.046800      3.445700     -6.030500 
     36         O     -5.619000     -1.254000     -2.609900 
     37         O     -1.548200     11.436100     -2.020300 
     38         O     -4.175800     10.841300     -2.860700 
     39         O     -1.283400      0.266600     -4.726200 
     40         O     -2.371400      3.831400     -1.230100 
     41         O     -4.614300      4.513200     -4.577500 
     42         O     -3.453100      6.275400     -2.782900 
     43         O     -1.976300      5.123500      4.153100 
     44         O     -2.029300      8.845900     -2.893500 
     45         O     -1.819600      3.444400      6.569900 
     46         O     -2.494200      7.833900      4.975500 
     47         O     -1.048500      6.420500      1.763100 
     48         O     -5.029600      4.801700      1.791000 
     49         O      0.184300      6.850600     -3.948400 
     50         O     -1.054700      7.000100     -1.500600 
     51         O     -2.317400      7.617800     -5.008800 
     52         O     -1.768800      5.077700     -3.858400 
     53         O      0.346700      4.978200     -5.693900 
     54         O      0.094900      3.013000     -3.698700 
     55         O     -2.518700      2.753100     -3.966300 
     56         O     -2.490500      3.967600      1.577000 
     57         O     -3.679600     10.972200      2.573000 
     58        Mo     -3.827700      4.385400      3.435400 
     59         H     -2.188600      2.065200     -1.576500 
     60        Mo     -2.383100     10.038700      1.436200 
     61        Mo     -4.325700     -1.914800      1.527100 
     62        Mo     -5.130400      6.951600      1.722300 
     63        Mo     -6.292900      2.952700      1.652800 
     64        Mo     -3.091300      0.919200      3.742900 
     65        Mo     -0.434700      3.141400      5.186100 
     66         O      1.818200     -0.415300      7.555500 
     67         O     -4.781700      2.664400      2.803500 
     68         O     -1.894000      0.409500      4.909000 
     69        Mo     -1.504200      6.873700      3.585700 
     70        Mo     -1.580600      6.973500     -3.312000 
     71         O     -6.898800      1.328800      1.765500 
     72        Mo     -0.608300      3.570000     -5.200800 
     73         O      0.446400      1.720800      6.068400 
     74         O     -1.011300     -0.620800      7.639100 
     75        Mo     -2.621100      0.611000     -3.645200 
     76         O     -1.096700     11.186400      1.556100 
     77         O     -6.008900     -1.382300      2.353100 
     78        Mo     -6.103500      2.804000     -1.576200 
     79        Mo     -5.094100      6.818100     -1.661900 
     80        Mo     -3.443400      4.286500      0.125100 
     81        Mo     -4.109500     -1.960100     -1.591000 
     82        Mo     -2.741500     10.227300     -1.691900 
     83        Mo     -3.552800      4.220700     -3.250500 
     84         H     -7.242500      4.906000      2.857800 
     85         H      0.355900      6.156000     -4.692700 
     86         H     -1.552800      1.886800      2.206600 
     87         H     -1.799100      6.520500      1.126300 
     88         O      0.460500     -1.378200      5.261200 
     89         H      0.068500      1.317000     -5.849900 
     90         H     -6.994800      4.706100     -2.896200 
     91         H     -4.558600     10.546300      2.473400 
     92         H     -6.297900     -0.461700      2.134100 
     93         O     -2.274000      1.244600      1.972600 
     94         H     -3.403700      8.054100      4.685500 
     95         H     -6.084900     -0.510700     -2.154100 
     96         H     -4.931900     10.215700     -2.812700 
     97        Mo      0.350400     -0.203200      6.584400 
     98         O     -4.319900     -3.600000      1.957000 
     99         H     -1.382700      7.770200     -0.897200 
end

