Basis
  Core Small
  Type TZP
end

Charge -3

NumericalQuality Good

Relativistic Scalar ZORA

Solvation
  Surf Delley
  Solv Eps=49.7000 Rad=1.9630 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     -7.155282      3.104814      3.129267 
      2         O     -4.858405      8.553714      3.085314 
      3        Mo     -3.487352      4.068108      3.600907 
      4         H     -0.846177      2.788407      6.988328 
      5         O     -3.754646     -0.100185      1.293370 
      6         O     -6.097535      6.733071      4.758668 
      7         H     -3.538442      5.923971      1.175239 
      8         O     -7.132459     -1.733664     -0.125738 
      9         O     -4.992621     10.716807      1.410744 
     10        Mo     -3.525925     10.367441      2.273404 
     11        Mo     -5.546836     -1.351624      0.496345 
     12        Mo     -5.374065      6.848785      3.177931 
     13        Mo     -5.991519      2.982815      1.566249 
     14         O     -4.111482      6.749112      1.090096 
     15         O      0.167158      6.655635      5.250167 
     16         O     -2.397795      8.376683      5.304069 
     17         O     -4.800473      3.503851      0.137609 
     18        Mo     -3.052014      0.657908      2.770218 
     19        Mo     -0.453566      3.011964      4.366303 
     20         O     -4.981238     -0.199893     -0.987681 
     21         O      2.476364      0.379341      4.351459 
     22         O     -3.450721      6.197304      3.884224 
     23         O     -4.405991      2.455775      2.614019 
     24         O     -2.296547      2.405053      3.727474 
     25         O     -1.478551     -0.131730      3.074437 
     26        Mo     -1.828959      6.814402      4.801452 
     27         O     -4.111443      0.000997      4.015850 
     28         O     -2.598065      9.017773      1.596582 
     29         O     -4.100846      3.850326      5.201921 
     30         O      0.333975      2.193608      2.973995 
     31         O     -6.882450      6.754085      2.034472 
     32         O     -7.194182      4.453394      0.816729 
     33         O      0.997659     -0.501291      2.163932 
     34         O      0.948097      4.272824      4.561066 
     35         O     -6.644501      1.522442      0.925520 
     36         O     -3.574813     10.668467      4.173521 
     37         O     -0.098586      1.309839      5.269927 
     38         O      0.482346     -1.462258      4.883117 
     39        Mo      0.798151      0.034983      4.043680 
     40         O     -2.402561     11.841073      1.772580 
     41         O     -6.019504     -1.200990      2.371874 
     42         H     -3.208360      9.894058      4.681069 
     43         O     -1.584611      4.644916      3.974571 
     44         H     -5.344154     -0.791357      2.980376 
     45         O     -1.084578      3.424835      6.286864 
     46         O     -1.970590      5.831964      6.414327 
     47         O     -0.940401      7.293895      3.101303 
     48         O     -5.107892      4.807644      2.777563 
     49         O     -2.731346      4.451368      1.471431 
     50         O     -1.822121      1.926786      1.038273 
     51         H     -1.585224      4.866251      6.464760 
     52         O     -4.622353     -2.827686      0.349919 
     53         H     -6.954903      3.902306      3.665753 
     54         H     -2.176463      2.870922      1.109937 
     55         H     -0.935388      1.995500      1.465279 
     56         H     -4.202788      0.310499     -0.673857 
     57         H     -3.986651      4.011309      0.453491 
     58         H     -1.836193      4.843304      1.442196 
     59         H     -3.487130      7.516540      1.116005 
     60         H     -1.517887      7.935765      2.605269 
     61         H      0.090253     -0.623618      1.807543 
     62         H      0.664913      5.196938      4.925513 
     63         H     -7.031747      5.847391      1.569308 
     64         H     -6.805116      4.697706     -0.049730 
     65         H     -2.894521     12.653581      1.528010 
     66         H      0.609135      7.122341      4.507340 
end

