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      2.491473     -2.784226     -4.458515 
      2         O     -0.101789     -2.878482     -3.998559 
      3         O     -0.322592     -4.946994     -5.918640 
      4         O      0.357188     -2.282355     -6.679735 
      5         O      1.873635     -5.066993     -4.194659 
      6         O      2.890297     -7.650012     -5.292136 
      7         O      0.726676     -6.216368     -1.710948 
      8         O      0.223075     -7.154095     -4.530985 
      9         O      1.975968     -8.580312     -2.775034 
     10         O      3.421973     -6.161600     -2.796949 
     11         O      4.760323     -4.517263     -4.604348 
     12         O      2.345734     -4.081107     -1.407063 
     13         O      3.598176    -10.556112     -2.293424 
     14         O      1.169147    -10.499366     -0.650765 
     15         O      2.026756      0.051179     -4.674268 
     16         O      5.050768     -4.574428     -1.966762 
     17         O      7.241456     -3.262244     -0.529900 
     18        Mo      3.478712     -4.228535     -3.379693 
     19         O      6.653959     -6.471757     -0.527430 
     20        Mo      2.672326     -9.558017     -0.759704 
     21         O      2.154488     -7.929186     -0.055217 
     22         H      1.214541     -6.861991     -1.125281 
     23         O      4.056032     -2.441511     -2.675921 
     24         O      3.692971    -10.274886      0.504568 
     25         H      6.115375     -3.394751     -3.772382 
     26         O      6.239287     -0.800333     -1.303112 
     27         O      1.419975     -1.499042     -2.296188 
     28         O      6.170493     -6.731971     -3.365486 
     29         H      0.843758     -2.056524     -2.910356 
     30         H      5.261722     -1.334079     -4.127768 
     31         O      4.608554     -8.156968     -1.343697 
     32         H      3.367563     -9.970880     -3.047549 
     33         O      4.632577     -0.685755     -4.525486 
     34         H      2.974866     -4.634429     -6.240994 
     35         O      6.643947     -2.703990     -3.300637 
     36         O      4.491732     -2.688343     -0.054775 
     37         O      2.324761     -4.145412     -6.783803 
     38         O      3.792732     -5.959446      0.016490 
     39         O      3.309620      0.468275     -2.198052 
     40        Mo      5.278650     -6.513033     -1.624128 
     41        Mo      5.909042     -2.525815     -1.421506 
     42        Mo      2.946038     -0.763160     -3.404413 
     43        Mo      0.840377     -3.440553     -5.439996 
     44        Mo      1.921368     -7.142080     -3.899409 
     45         H      1.973240     -3.167076     -1.504406 
     46         H      3.132647     -6.763502     -0.011709 
     47         H      3.289294     -5.206273     -0.416858 
     48         H      3.725248     -3.153574     -0.497972 
     49         H      1.271765     -5.366447     -1.627396 
     50         H      5.748924     -6.044485     -3.949577 
     51         H     -0.093127     -5.768304     -5.370876 
end

