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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP4/cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.9593259     -896.3044636     0.3451377     0.0000000 896.3044636
cm-1   3822.3     3312.4     509.9      
eV -24380.293 0.474 -24379.819 -24389.685 0.411 -24389.274 9.392 0.063 9.455 0.000 24389.685
A scaling factor of 0.9692 was used for the vibrational zero-point energy (VZPE).