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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 | -378.7676408 | -379.1053016 | 0.3376608 | -378.7608544 | 0.3444472 | ||||||
| cm-1 | 2548.6 | 3015.7 | -467.1 | ||||||||
| eV | -10306.792 | 0.316 | -10306.476 | -10315.980 | 0.374 | -10315.606 | 9.188 | -0.058 | 9.130 | -10306.607 | 9.373 |