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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 | -848.2604816 | -848.5338832 | 0.2734017 | 0.0000000 | 848.5338832 | ||||||
| cm-1 | 301.1 | 277.9 | 23.2 | ||||||||
| eV | -23082.342 | 0.037 | -23082.304 | -23089.781 | 0.034 | -23089.747 | 7.440 | 0.003 | 7.443 | 0.000 | 23089.781 |