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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP2=FULL/6-31G

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -894.5444108     -894.9596787     0.4152679     0.0000000 894.9596787
cm-1   2762.0     3874.9     -1112.9      
eV -24341.791 0.342 -24341.449 -24353.091 0.480 -24352.611 11.300 -0.138 11.162 0.000 24353.091
A scaling factor of 0.9501 was used for the vibrational zero-point energy (VZPE).