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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

CCD/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 -895.2040638     -895.5740306     0.3699668     0.0000000 895.5740306
cm-1   3704.7     3222.9     481.8      
eV -24359.741 0.459 -24359.282 -24369.809 0.400 -24369.409 10.067 0.060 10.127 0.000 24369.809
A scaling factor of 0.9423 was used for the vibrational zero-point energy (VZPE).