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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

G3B3

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -896.5954060     -896.9527680     0.3573620     0.0000000 896.9527680
cm-1   3780.8     3212.7     568.1      
eV -24397.602 0.469 -24397.133 -24407.326 0.398 -24406.928 9.724 0.070 9.795 0.000 24407.326
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).