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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 | -52.6097179 | -53.0207823 | 0.4110644 | 0.0000000 | 53.0207823 | ||||||
| cm-1 | 11888.4 | 13384.5 | -1496.1 | ||||||||
| eV | -1431.583 | 1.474 | -1430.109 | -1442.769 | 1.659 | -1441.109 | 11.186 | -0.185 | 11.000 | 0.000 | 1442.769 |