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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP4/6-311G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.5116636     -895.8719420     0.3602785     0.0000000 895.8719420
cm-1   3655.5     3138.7     516.8      
eV -24368.112 0.453 -24367.658 -24377.915 0.389 -24377.526 9.804 0.064 9.868 0.000 24377.915
A scaling factor of 0.9697 was used for the vibrational zero-point energy (VZPE).