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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 | -258.2853315 | -258.3768564 | 0.0915250 | 0.0000000 | 258.3768564 | ||||||
| cm-1 | 259.5 | 441.4 | -181.9 | ||||||||
| eV | -7028.301 | 0.032 | -7028.269 | -7030.792 | 0.055 | -7030.737 | 2.491 | -0.023 | 2.468 | 0.000 | 7030.792 |