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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 | -389.0484154 | -389.3246073 | 0.2761919 | 0.0000000 | 389.3246073 | ||||||
| cm-1 | 470.4 | 402.2 | 68.1 | ||||||||
| eV | -10586.546 | 0.058 | -10586.487 | -10594.061 | 0.050 | -10594.011 | 7.516 | 0.008 | 7.524 | 0.000 | 10594.061 |