Basis
  Core Small
  Type TZP
end

Charge -4

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      1.429537     -2.136315     -0.776210 
      2        Mo      1.977841      2.178007     -0.530808 
      3        Mo      3.385471     -0.322214      1.108879 
      4        Mo     -0.143330      0.159838      1.383193 
      5        Mo     -1.903851     -1.757480     -1.147877 
      6        Mo     -1.381289      2.004700     -1.335920 
      7        Mo     -3.510518     -0.087870      1.466482 
      8         O     -0.463145     -1.570035      0.726575 
      9         O      0.138598      1.895965      0.783535 
     10         O      1.509805     -0.062268     -0.045579 
     11         O      0.431392      2.109159     -1.860606 
     12         O      2.615053     -2.091141      0.823908 
     13         O     -0.142695     -1.534533     -1.870010 
     14         O      4.807954     -0.416711      0.091286 
     15         O     -2.022219     -3.501452     -1.057039 
     16         O     -2.243701      1.946041     -2.863329 
     17         O     -1.863309      0.409025      2.325422 
     18         O     -4.375709      1.250271      0.728586 
     19         O      2.038934      3.904517     -0.242480 
     20         O      2.598750     -2.105167     -2.074453 
     21         O     -4.535385     -0.626889      2.784145 
     22         O     -1.810881      0.417726     -0.413663 
     23         O     -3.357264     -1.576488      0.349321 
     24         O      0.998757     -3.822057     -0.548618 
     25         O      3.141394      1.858768     -1.800094 
     26         O      0.912683     -0.051083      2.755004 
     27         O      3.025383      1.614835      1.028116 
     28         O     -1.958625      3.455018     -0.525705 
     29         O     -2.878825     -1.313287     -2.527647 
     30         O      3.936011     -0.468544      2.771321 
end

