Basis
  Core Small
  Type TZP
end

Charge 0

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     -1.034701      0.194558      0.081167 
      2         O     -0.935310      0.081846      1.815131 
      3         O      0.803120     -0.166358     -0.563621 
      4         O     -2.427168      1.566349     -0.065717 
      5         O     -1.128186      0.869068     -2.385193 
      6         O     -1.805920     -1.284216     -0.421224 
      7         O      0.262140      2.274470      0.150964 
      8         H      1.075907      2.169370     -0.382716 
      9         H     -0.201086      3.042220     -0.239223 
     10         H     -2.511160      1.850756     -1.000555 
     11         H     -1.604566      0.172948     -2.882049 
     12         H     -0.201889      0.776641     -2.689250 
     13         H      0.851509     -1.071938     -0.933887 
end

