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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP2=FULL/6-311G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.6868445     -896.0475343     0.3606898     0.0000000 896.0475343
cm-1   3671.4     3189.7     481.7      
eV -24372.879 0.455 -24372.423 -24382.693 0.395 -24382.298 9.815 0.060 9.875 0.000 24382.693
A scaling factor of 0.9471 was used for the vibrational zero-point energy (VZPE).