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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 | -436.4834923 | -436.7687262 | 0.2852339 | 0.0000000 | 436.7687262 | ||||||
| cm-1 | 3024.8 | 2504.0 | 520.8 | ||||||||
| eV | -11877.320 | 0.375 | -11876.945 | -11885.081 | 0.310 | -11884.771 | 7.762 | 0.065 | 7.826 | 0.000 | 11885.081 |