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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

MP2/CEP-121G

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.0408006     -129.4836448     0.4428443     0.0000000 129.4836448
cm-1   2531.0     3551.1     -1020.1      
eV -3511.379 0.314 -3511.065 -3523.429 0.440 -3522.989 12.050 -0.126 11.924 0.000 3523.429
A scaling factor of 0.976 was used for the vibrational zero-point energy (VZPE).