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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 | -55.8713645 | -56.1805402 | 0.3091757 | 0.0000000 | 56.1805402 | ||||||
| cm-1 | 6991.6 | 7178.7 | -187.1 | ||||||||
| eV | -1520.337 | 0.867 | -1519.470 | -1528.750 | 0.890 | -1527.860 | 8.413 | -0.023 | 8.390 | 0.000 | 1528.750 |