Basis
  Core Small
  Type TZP
end

Charge -8

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      2.564677     -2.824015     -4.387843 
      2         O     -0.095557     -2.854602     -4.210597 
      3         O     -0.158351     -4.774594     -6.290261 
      4         O      0.681462     -2.080856     -6.718150 
      5         O      1.784323     -5.027578     -4.105086 
      6         O      2.568852     -7.632551     -5.275824 
      7         O      0.760342     -6.123866     -1.476841 
      8         O      0.015340     -7.182667     -4.185284 
      9         O      1.970233     -8.510212     -2.653804 
     10         O      3.380340     -6.136164     -2.756734 
     11         O      4.727889     -4.550579     -4.605889 
     12         O      2.391765     -3.993586     -1.340636 
     13         O      3.544372    -10.537254     -2.382212 
     14         O      1.219173    -10.455099     -0.582854 
     15         O      2.033159     -0.093632     -4.788211 
     16         O      5.077249     -4.572842     -1.968294 
     17         O      7.213059     -3.291966     -0.459032 
     18        Mo      3.474291     -4.221619     -3.337776 
     19         O      6.751601     -6.520251     -0.730113 
     20        Mo      2.719785     -9.518310     -0.781452 
     21         O      2.274349     -7.915109      0.036363 
     22         H      1.292058     -6.792325     -0.960196 
     23         O      4.109808     -2.418154     -2.629168 
     24         O      3.825332    -10.295061      0.380105 
     25         H      6.169840     -3.383017     -3.696470 
     26         O      6.256196     -0.801200     -1.215089 
     27         O      1.425263     -1.515778     -2.352257 
     28         O      6.078065     -6.704143     -3.529292 
     29         H      0.881988     -2.068692     -2.989478 
     30         H      5.339798     -1.353038     -4.130656 
     31         O      4.642551     -8.170686     -1.424808 
     32         H      3.275459     -9.924721     -3.101192 
     33         O      4.699185     -0.746251     -4.575850 
     34         H      3.330793     -4.232362     -6.085837 
     35         O      6.688581     -2.681333     -3.235695 
     36         O      4.468046     -2.711674     -0.020534 
     37         O      2.556124     -4.171920     -6.685945 
     38         O      3.945830     -5.996985      0.045010 
     39         O      3.308959      0.432229     -2.304171 
     40        Mo      5.303527     -6.527638     -1.737106 
     41        Mo      5.900318     -2.521922     -1.358219 
     42        Mo      2.995305     -0.842598     -3.485976 
     43        Mo      0.904294     -3.536943     -5.606100 
     44        Mo      1.751358     -7.079960     -3.801815 
     45         H      1.986402     -3.101657     -1.516751 
     46         H      3.259604     -6.788138      0.036483 
     47         H      3.450940     -5.228768     -0.347290 
     48         H      3.686420     -3.153425     -0.486724 
     49         H      1.335805     -5.288671     -1.452805 
     50         H      5.629227     -5.975432     -4.058907 
     51        Mo      0.277569      0.114826     -6.600925 
     52         O     -0.766840     -0.495121     -5.087912 
     53         O     -0.934329      0.105363     -7.881514 
     54         O      0.428898      1.834210     -6.228603 
     55         H      2.210360     -0.982419     -7.522392 
     56         O      1.962753     -0.042039     -7.664186 
     57         H     -0.483825     -1.414245     -4.720012 
end

