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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 | -152.6823090 | -152.9088689 | 0.2265599 | 0.0000000 | 152.9088689 | ||||||
| cm-1 | 14461.3 | 13907.4 | 554.0 | ||||||||
| eV | -4154.697 | 1.793 | -4152.904 | -4160.862 | 1.724 | -4159.138 | 6.165 | 0.069 | 6.234 | 0.000 | 4160.862 |