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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 | -2380.4458761 | -2380.7885882 | 0.3427121 | 0.0000000 | 2380.7885882 | ||||||
| cm-1 | 189.5 | 154.7 | 34.8 | ||||||||
| eV | -64775.226 | 0.023 | -64775.203 | -64784.552 | 0.019 | -64784.533 | 9.326 | 0.004 | 9.330 | 0.000 | 64784.552 |