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         H      5.744208     -6.074961     -3.895219 
      2         H      3.031572    -10.687965     -2.997098 
      3         O      6.356701     -6.488171     -3.220736 
      4        Mo      1.862700     -7.482251     -3.911601 
      5         O      1.918348     -5.619297     -4.236088 
      6         O      2.976766     -8.104307     -5.148099 
      7         O      0.738659     -6.600957     -1.957392 
      8         O      0.267183     -7.888921     -4.582170 
      9         O      2.072446     -8.920448     -2.592897 
     10         O      3.720479     -6.618914     -2.698711 
     11         O      4.612031     -4.987260     -4.789140 
     12         O      2.126555     -4.541187     -1.674005 
     13         O      3.214807    -11.142722     -2.147642 
     14         O      0.749967    -10.638331     -0.516236 
     15         O      3.417067    -10.491049      0.399037 
     16         O      5.335235     -8.566225     -1.272944 
     17         O      3.964978     -6.219301     -0.061083 
     18        Mo      3.539578     -4.457500     -3.426011 
     19         O      6.557935     -6.027317     -0.607763 
     20        Mo      2.305006     -9.878974     -0.841210 
     21         O      2.008204     -8.096556      0.012475 
     22        Mo      5.199043     -6.840756     -1.569221 
     23         O      2.904417     -2.870361     -3.948702 
     24         O      4.780570     -4.151050     -2.144615 
     25         H      1.306797     -5.685940     -1.845122 
     26         H      1.119755     -7.181529     -1.243494 
     27         H      2.751772     -4.945298     -1.023568 
     28         H      7.209432     -4.988395     -2.526819 
     29         H      2.765745     -7.434445      0.019822 
     30         H      4.475427     -5.457215      0.380467 
     31         O      7.652966     -4.190380     -2.127952 
     32         O      5.374419     -4.147010      0.784591 
     33        Mo      6.784778     -3.792875     -0.328547 
     34         O      6.580238     -2.046111     -0.659413 
     35         O      8.207878     -3.859809      0.744918 
end

