Basis
  Core Small
  Type TZP
end

Charge -7

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      2.388038     -2.827720     -4.238585 
      2         O      5.275169     -4.478615     -2.202182 
      3         H      0.820530     -2.225486     -2.857156 
      4         H      1.231781     -5.227934     -1.895942 
      5         O      2.070779     -5.214326     -4.323816 
      6         O      3.131227     -7.532342     -4.911870 
      7         O      0.639990     -6.049427     -2.226462 
      8         O      0.238045     -7.668986     -4.496370 
      9         O      2.079355     -8.552694     -2.594540 
     10         O      3.469932     -6.068155     -2.543602 
     11         O      4.627517     -4.311011     -4.800228 
     12         O      2.120712     -4.140247     -1.525946 
     13         O      2.621725     -3.753708     -6.720871 
     14         O      0.178845     -2.234371     -6.170796 
     15        Mo      2.902958     -0.878569     -3.332397 
     16         O      0.191024     -5.015112     -6.474298 
     17         O      7.897061     -3.277414     -1.292988 
     18        Mo      3.578698     -4.220049     -3.336091 
     19         O      6.520136     -6.323242     -0.472976 
     20        Mo      0.961677     -3.698958     -5.565289 
     21         O     -0.226456     -3.732336     -3.906285 
     22        Mo      1.626681     -7.125258     -3.545107 
     23         O      4.023405     -2.444584     -2.532682 
     24         O      6.568003     -2.591339     -3.723500 
     25         H      5.987141     -3.260938     -4.166763 
     26         O      6.278131     -0.991214     -1.495986 
     27         O      1.221828     -1.550902     -2.255027 
     28        Mo      4.892188     -6.578224     -1.124313 
     29         H      1.835819     -3.191836     -1.556355 
     30         O      3.124193      0.320386     -2.042040 
     31         O      4.318403     -8.024375     -0.280253 
     32         H      3.395491     -3.780146     -6.099642 
     33         O      4.602195     -0.668636     -4.405679 
     34         O      2.039383     -0.026881     -4.632568 
     35         O      5.597561     -7.483588     -2.808581 
     36         O      5.374759     -3.049916      0.093506 
     37         H      3.282965     -6.622572     -5.248331 
     38         O      3.872364     -5.277519      0.038594 
     39        Mo      6.241356     -2.761296     -1.671152 
     40         H      3.170053     -4.789483     -0.531718 
     41         H      4.848994     -3.911442      0.071699 
     42         H      0.098314     -4.496825     -3.366930 
     43         H      5.284844     -1.307917     -4.056804 
     44         H      4.840872     -7.396488     -3.436640 
end

