![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -138.5369515 | -138.8590521 | 0.3221005 | -138.5142354 | 0.3448166 | ||||||
cm-1 | 5754.0 | 5286.4 | 467.6 | ||||||||
eV | -3769.782 | 0.713 | -3769.069 | -3778.547 | 0.655 | -3777.892 | 8.765 | 0.058 | 8.823 | -3769.164 | 9.383 |