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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 | -96.0167450 | -96.1454826 | 0.1287376 | 0.0000000 | 96.1454826 | ||||||
| cm-1 | 16784.9 | 15051.9 | 1733.0 | ||||||||
| eV | -2612.749 | 2.081 | -2610.667 | -2616.252 | 1.866 | -2614.385 | 3.503 | 0.215 | 3.718 | 0.000 | 2616.252 |