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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 | -198.9732030 | -199.5421309 | 0.5689280 | 0.0000000 | 199.5421309 | ||||||
| cm-1 | 621.7 | 522.7 | 99.0 | ||||||||
| eV | -5414.336 | 0.077 | -5414.259 | -5429.818 | 0.065 | -5429.753 | 15.481 | 0.012 | 15.494 | 0.000 | 5429.818 |