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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

B1B95/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -896.8364827     -897.2108440     0.3743613     0.0000000 897.2108440
cm-1   3697.5     3105.3     592.2      
eV -24404.162 0.458 -24403.703 -24414.349 0.385 -24413.964 10.187 0.073 10.260 0.000 24414.349
A scaling factor of 0.9566 was used for the vibrational zero-point energy (VZPE).