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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 | -15.9005051 | -16.3557559 | 0.4552508 | 0.0000000 | 16.3557559 | ||||||
| cm-1 | 1552.0 | 1789.2 | -237.2 | ||||||||
| eV | -432.675 | 0.192 | -432.482 | -445.063 | 0.222 | -444.841 | 12.388 | -0.029 | 12.359 | 0.000 | 445.063 |