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Calculated Ionization Energy for for SF5 (Sulfur pentafluoride)

2009091408

CBS-Q

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -896.0809390     -896.4415940     0.3606550     0.0000000 896.4415940
cm-1   4264.1     3780.1     483.9      
eV -24383.602 0.529 -24383.074 -24393.416 0.469 -24392.948 9.814 0.060 9.874 0.000 24393.416
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).