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        Mo      1.980104      1.041519     -2.409557 
      2        Mo      0.015626     -0.559969      0.067149 
      3         H     -0.568298      5.232636     -2.292859 
      4         O     -0.672942      4.308879      1.186967 
      5         O     -0.964820     -1.956097      0.484999 
      6        Mo      0.891245      1.541510      5.698165 
      7         O      3.227508      2.284836     -2.536224 
      8         O      2.701745      1.273356      6.491502 
      9         O      2.740930      2.178510     -6.248581 
     10         O     -0.142139      2.450376      4.369973 
     11         O      3.530163      2.470603      1.377624 
     12         O      1.597734      1.249263     -0.227705 
     13         O     -0.706235      6.107601     -0.898895 
     14         O      0.139689     -0.545956     -1.743591 
     15        Mo      0.990239      2.362061     -5.999942 
     16        Mo      0.315552      2.874585     -0.171276 
     17         O      0.917617     -0.172103      1.933132 
     18         O      0.978918      4.874515      3.493061 
     19         O      1.478016      0.796369     -4.099538 
     20         O      0.428876     -0.118661      5.387084 
     21         O     -2.198757      2.315254      2.393767 
     22        Mo     -1.521905      2.962898     -3.078770 
     23         O      2.474274      1.353613      3.802228 
     24        Mo     -2.450551      5.390036      0.070873 
     25         O     -2.606587      6.719955      1.232174 
     26         O      0.794939      2.478799      1.748532 
     27         H      1.668188      4.260103      4.876075 
     28         O      0.277385      0.950635     -6.808892 
     29         H     -2.704423      2.959904      1.775996 
     30         H     -1.772039      1.690589      1.744722 
     31         O      2.976737     -0.524577     -1.970418 
     32         O      3.534704     -0.246788      1.541715 
     33         O      0.059130      1.940127      7.184110 
     34        Mo      2.244380      1.116387      2.062032 
     35         H      0.078807      5.741878     -0.441683 
     36         H      2.866552      3.629160      5.690348 
     37         O      0.538353      3.728940     -7.036797 
     38         H      2.287636      3.508030     -3.686730 
     39         O     -1.769316      4.740261      3.786518 
     40         O     -1.032908      0.902234      0.353641 
     41         O      1.478719      4.128869     -0.482208 
     42         O      0.409163      2.189936     -2.075534 
     43         H     -1.261551      0.613584     -2.241360 
     44         O     -0.740665      2.575045     -4.682327 
     45         H      3.425465      2.569546      0.407642 
     46        Mo     -0.434250      3.891358      3.041556 
     47         H      0.902100      4.294064     -3.805028 
     48         O      1.955324     -1.670652      0.024799 
     49         O     -3.148262      3.455869     -3.464889 
     50         O     -2.039100      1.126360     -2.586123 
     51         O     -0.524942      4.716666     -3.172525 
     52         O     -1.362694      3.408068     -1.031615 
     53         O     -3.444327      5.867960     -1.312984 
     54         O     -3.401616      4.041384      0.830382 
     55         H      3.298479      1.008557      5.760486 
     56         H      3.017152     -0.955849      1.028012 
     57         H      2.575948     -1.091973     -1.178210 
     58         H      1.794832     -2.631296     -0.043097 
     59         O      1.904688      3.793621      5.735933 
     60         O      1.715110      3.981661     -4.339644 
end

