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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP2=FULL/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -895.2506597     -895.6170587     0.3663990     0.0000000 895.6170587
cm-1   3616.8     3160.0     456.8      
eV -24361.009 0.448 -24360.561 -24370.980 0.392 -24370.588 9.970 0.057 10.027 0.000 24370.980
A scaling factor of 0.9392 was used for the vibrational zero-point energy (VZPE).