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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 | -404.7388612 | -404.9781432 | 0.2392820 | 0.0000000 | 404.9781432 | ||||||
| cm-1 | 149.6 | 258.2 | -108.6 | ||||||||
| eV | -11013.505 | 0.019 | -11013.486 | -11020.016 | 0.032 | -11019.984 | 6.511 | -0.013 | 6.498 | 0.000 | 11020.016 |