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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 | -532.0117583 | -532.4202846 | 0.4085263 | 0.0000000 | 532.4202846 | ||||||
| cm-1 | 2269.8 | 2529.5 | -259.6 | ||||||||
| eV | -14476.776 | 0.281 | -14476.495 | -14487.893 | 0.314 | -14487.579 | 11.117 | -0.032 | 11.084 | 0.000 | 14487.893 |