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      5.176372     -5.700475     -4.799711 
      2         H      3.481056     -9.310136     -3.268048 
      3         O      6.778010     -5.661264     -1.633229 
      4        Mo      1.911505     -7.192569     -2.917126 
      5         O      2.311911     -5.183574     -4.081945 
      6         O      3.003484     -7.926222     -4.185102 
      7         O      1.479921     -5.794786     -1.418242 
      8         O      0.306209     -7.125686     -3.689365 
      9         O      1.731159     -8.624166     -1.851961 
     10         O      3.958078     -6.559017     -2.032289 
     11         O      5.206613     -6.619045     -5.186632 
     12         O      3.330359     -3.336615     -1.976012 
     13         O      3.731873    -10.197294     -2.863430 
     14         O      1.214497    -11.410186     -1.417064 
     15         O      3.889592    -12.058041     -0.827953 
     16         O      5.983788     -8.308181     -0.697805 
     17         O      1.491182     -7.310528      0.873631 
     18        Mo      3.333709     -3.709268     -3.739590 
     19         O      5.028063     -5.908114      0.697106 
     20        Mo      2.823455    -10.666694     -1.170415 
     21         O      2.831901     -9.743751      0.371442 
     22        Mo      5.414308     -6.611940     -0.923820 
     23         O      2.614439     -2.303910     -4.621211 
     24         O      5.019241     -3.962413     -4.364619 
     25         H      2.280665     -5.222786     -1.378621 
     26         H      1.544443     -6.754354      0.038051 
     27         H      1.980251     -8.132418      0.604219 
     28         H      4.437319     -7.064071     -4.727857 
end

