Basis
  Core Small
  Type TZP
end

Charge -3

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        Mo      4.713834     10.516108      5.540701 
      2        Mo      2.269918      3.425846      5.454260 
      3        Mo      3.899145      8.440057      7.997984 
      4        Mo      3.000544      5.552617      2.916566 
      5        Mo      1.219843      6.054832      7.049851 
      6        Mo      5.660908      7.840807      3.744259 
      7        Mo      2.056590      8.177084      4.790861 
      8        Mo      4.811838      5.901519      6.237688 
      9         O      4.322067     12.164620      5.137157 
     10         O      2.732795      1.793265      5.831080 
     11         O      6.326475     10.589599      6.198882 
     12         O      0.655770      3.290134      4.809907 
     13         O      2.727464      8.515938      9.330496 
     14         O      3.975168      5.334082      1.497012 
     15         O      5.464582      8.561011      8.737407 
     16         O      1.358621      5.450848      2.355653 
     17         O      1.015086      6.581958      8.860102 
     18         O      5.908479      7.640850      2.033755 
     19         O     -0.409514      5.921030      6.504425 
     20         O      7.255477      7.905329      4.434906 
     21         O      0.471833      8.119853      4.089068 
     22         O      6.421778      5.927924      6.874022 
     23         O      3.708735     10.182715      7.187691 
     24         O      3.219983      3.843877      3.809419 
     25         O      1.754215      4.239138      7.207471 
     26         O      5.105991      9.691409      3.815274 
     27         O      2.536533      9.883855      4.719107 
     28         O      4.307490      4.185079      6.268789 
     29         O      3.153331      7.485993      3.292025 
     30         O      3.718845      6.471128      7.765274 
     31         O      1.659771      8.000787      6.683567 
     32         O      5.094967      6.005839      4.285392 
     33         O      4.398885      7.996273      5.840601 
     34         O      2.297559      5.981220      5.332709 
     35         H      1.662578      7.294308      9.190992 
end

