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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

CID/6-311G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.2751142     -895.6384544     0.3633402     0.0000000 895.6384544
cm-1   3878.7     3353.2     525.5      
eV -24361.675 0.481 -24361.194 -24371.562 0.416 -24371.146 9.887 0.065 9.952 0.000 24371.562
A scaling factor of 0.9291 was used for the vibrational zero-point energy (VZPE).