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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP4/cc-pVDZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.3111342     -895.6724226     0.3612884     0.0000000 895.6724226
cm-1   3584.5     3248.0     336.5      
eV -24362.655 0.444 -24362.211 -24372.486 0.403 -24372.083 9.831 0.042 9.873 0.000 24372.486
A scaling factor of 0.9669 was used for the vibrational zero-point energy (VZPE).