Basis
  Core Small
  Type TZP
end

Charge -9

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      2.415437     -2.869744     -4.021531 
      2         O     -0.273257     -3.513971     -4.432845 
      3         O      0.430189     -4.827912     -6.828812 
      4         O      0.773209     -2.029896     -6.485021 
      5         O      2.139245     -5.164448     -4.464010 
      6         O      3.093718     -7.825853     -5.314348 
      7         O      0.622069     -6.147902     -1.924259 
      8         O      0.395812     -7.301136     -4.709728 
      9         O      2.024024     -8.570661     -2.796580 
     10         O      3.444758     -6.213939     -2.769655 
     11         O      4.902154     -4.583632     -4.585035 
     12         O      2.366280     -4.137921     -1.489372 
     13         O      3.546128    -10.549273     -2.123584 
     14         O      0.903104    -10.401793     -0.805237 
     15         O      1.485930     -0.225388     -4.055627 
     16         O      5.058586     -4.634492     -1.859560 
     17         O      7.231380     -3.265698     -0.538356 
     18        Mo      3.608682     -4.320255     -3.353791 
     19         O      6.444438     -6.461076     -0.113014 
     20        Mo      2.423041     -9.471526     -0.754649 
     21         O      1.865158     -7.833940     -0.111920 
     22         H      1.071504     -6.789508     -1.303785 
     23         O      4.452632     -2.492601     -2.879497 
     24         O      3.281326    -10.200656      0.628839 
     25         H      6.260356     -3.691674     -3.879827 
     26         O      6.976228     -0.851753     -1.897247 
     27         O      2.367605     -1.191830     -1.537143 
     28         O      6.252984     -6.906627     -2.975968 
     29         H     -0.725074     -1.762211     -4.704913 
     30         H      3.459683     -2.017187     -6.005875 
     31         O      4.436148     -8.129385     -1.070673 
     32         H      3.437584     -9.960118     -2.901380 
     33         O      3.728555     -1.083224     -5.686986 
     34         H      3.643184     -4.064888     -6.082903 
     35         O      6.973334     -3.188989     -3.399805 
     36         O      4.833463     -1.943895     -0.328239 
     37         O      3.035158     -3.512292     -6.618872 
     38         O      3.554908     -5.810102      0.041403 
     39         O      4.138058      0.294458     -3.183759 
     40        Mo      5.184779     -6.511362     -1.346037 
     41        Mo      6.200618     -2.428296     -1.709028 
     42        Mo      2.904186     -0.992761     -3.262080 
     43        Mo      1.034029     -3.626296     -5.663895 
     44        Mo      2.038269     -7.198944     -4.028364 
     45         H      2.267690     -3.166038     -1.356924 
     46         H      2.897924     -6.593290     -0.013120 
     47         H      3.100547     -5.039905     -0.523738 
     48         H      3.968481     -1.737993     -0.775083 
     49         H      1.182623     -5.317408     -1.828372 
     50         H      5.946658     -6.233777     -3.630637 
     51        Mo      0.117666      0.232348     -6.102186 
     52         O     -1.107786     -0.865682     -4.905914 
     53         O     -0.852797      0.219147     -7.604717 
     54         O     -0.313426      1.806952     -5.370375 
     55         H      2.992263     -0.506830     -6.064274 
     56         O      1.809762      0.498362     -6.716202 
end

