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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 | -39.2156021 | -39.5954170 | 0.3798149 | 0.0000000 | 39.5954170 | ||||||
| cm-1 | 6520.0 | 6276.9 | 243.1 | ||||||||
| eV | -1067.111 | 0.808 | -1066.302 | -1077.446 | 0.778 | -1076.668 | 10.335 | 0.030 | 10.365 | 0.000 | 1077.446 |