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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 | -395.1478691 | -395.6001227 | 0.4522537 | 0.0000000 | 395.6001227 | ||||||
| cm-1 | 753.6 | 559.1 | 194.5 | ||||||||
| eV | -10752.520 | 0.093 | -10752.427 | -10764.827 | 0.069 | -10764.757 | 12.306 | 0.024 | 12.331 | 0.000 | 10764.827 |