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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 | -618.7225906 | -619.1097316 | 0.3871410 | 0.0000000 | 619.1097316 | ||||||
| cm-1 | 24474.7 | 2298.4 | 22176.3 | ||||||||
| eV | -16836.298 | 3.034 | -16833.263 | -16846.833 | 0.285 | -16846.548 | 10.535 | 2.750 | 13.284 | 0.000 | 16846.833 |