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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

CCD/cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.8829871     -896.2300632     0.3470760     0.0000000 896.2300632
cm-1   3873.1     3374.4     498.8      
eV -24378.216 0.480 -24377.736 -24387.660 0.418 -24387.242 9.444 0.062 9.506 0.000 24387.660
A scaling factor of 0.9337 was used for the vibrational zero-point energy (VZPE).