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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 | -559.4809886 | -559.9431871 | 0.4621986 | 0.0000000 | 559.9431871 | ||||||
| cm-1 | 458.2 | 391.1 | 67.1 | ||||||||
| eV | -15224.252 | 0.057 | -15224.195 | -15236.829 | 0.048 | -15236.781 | 12.577 | 0.008 | 12.585 | 0.000 | 15236.829 |