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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 | -279.1002332 | -279.5489691 | 0.4487359 | 0.0000000 | 279.5489691 | ||||||
| cm-1 | 2747.9 | 2562.4 | 185.5 | ||||||||
| eV | -7594.704 | 0.341 | -7594.363 | -7606.914 | 0.318 | -7606.597 | 12.211 | 0.023 | 12.234 | 0.000 | 7606.914 |