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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 | -14.9454206 | -15.2584735 | 0.3130530 | 0.0000000 | 15.2584735 | ||||||
| cm-1 | 1033.0 | 965.9 | 67.1 | ||||||||
| eV | -406.686 | 0.128 | -406.558 | -415.204 | 0.120 | -415.084 | 8.519 | 0.008 | 8.527 | 0.000 | 415.204 |