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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 | -212.0140681 | -212.3468173 | 0.3327492 | 0.0000000 | 212.3468173 | ||||||
| cm-1 | 1996.5 | 1885.9 | 110.6 | ||||||||
| eV | -5769.196 | 0.248 | -5768.949 | -5778.251 | 0.234 | -5778.017 | 9.055 | 0.014 | 9.068 | 0.000 | 5778.251 |