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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| 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 | -0.5027967 | -0.7475505 | 0.2447538 | 0.0000000 | 0.7475505 | ||||||
| cm-1 | 181.4 | 623.3 | -441.9 | ||||||||
| eV | -13.682 | 0.022 | -13.659 | -20.342 | 0.077 | -20.265 | 6.660 | -0.055 | 6.605 | 0.000 | 20.342 |