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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 | -16.0548929 | -16.2984169 | 0.2435239 | 0.0000000 | 16.2984169 | ||||||
| cm-1 | 284.5 | 217.5 | 67.1 | ||||||||
| eV | -436.876 | 0.035 | -436.841 | -443.502 | 0.027 | -443.476 | 6.627 | 0.008 | 6.635 | 0.000 | 443.502 |