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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 | -2462.7059874 | -2463.0478794 | 0.3418920 | 0.0000000 | 2463.0478794 | ||||||
| cm-1 | 487.0 | 442.1 | 44.9 | ||||||||
| eV | -67013.638 | 0.060 | -67013.578 | -67022.941 | 0.055 | -67022.886 | 9.303 | 0.006 | 9.309 | 0.000 | 67022.941 |