Basis
  Core Small
  Type TZP
end

Charge -1

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      0.791510      5.217942      3.026049 
      2        Mo     -0.813364      2.324738      7.557830 
      3        Mo     -0.986915      2.637997      3.834510 
      4        Mo      1.043343      5.296083      6.243927 
      5         O     -0.462994      1.036975      3.390371 
      6         O      0.309325      6.635851      7.080794 
      7         O     -0.275540      3.678037      2.384346 
      8         O      0.107038      3.878290      7.529474 
      9         O      0.101654      4.134823      4.797098 
     10         O      2.242433      4.971528      2.088967 
     11         O     -2.221177      2.507328      8.551186 
     12         O     -0.086124      6.538724      2.300159 
     13         O      0.197112      0.888508      8.308416 
     14         O     -1.313230      2.028258      5.847345 
     15         O      1.573484      6.131770      4.597885 
     16         O     -2.695811      2.734316      3.514262 
     17         O      2.592623      5.005975      6.986799 
     18         H      1.027633      0.673017      7.828854 
end

