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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP2/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.2204468     -895.5880127     0.3675659     0.0000000 895.5880127
cm-1   3603.5     3150.1     453.4      
eV -24360.187 0.447 -24359.740 -24370.189 0.391 -24369.799 10.002 0.056 10.058 0.000 24370.189
A scaling factor of 0.9406 was used for the vibrational zero-point energy (VZPE).