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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 | -376.9743214 | -377.3514284 | 0.3771070 | 0.0000000 | 377.3514284 | ||||||
| cm-1 | 2607.3 | 2844.4 | -237.1 | ||||||||
| eV | -10257.993 | 0.323 | -10257.670 | -10268.255 | 0.353 | -10267.902 | 10.262 | -0.029 | 10.232 | 0.000 | 10268.255 |