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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 | -389.1123807 | -389.3861550 | 0.2737743 | 0.0000000 | 389.3861550 | ||||||
| cm-1 | 490.0 | 400.2 | 89.8 | ||||||||
| eV | -10588.286 | 0.061 | -10588.226 | -10595.736 | 0.050 | -10595.687 | 7.450 | 0.011 | 7.461 | 0.000 | 10595.736 |