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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 | -82.3367210 | -82.6503001 | 0.3135791 | 0.0000000 | 82.6503001 | ||||||
| cm-1 | 172.1 | 395.9 | -223.9 | ||||||||
| eV | -2240.496 | 0.021 | -2240.475 | -2249.029 | 0.049 | -2248.980 | 8.533 | -0.028 | 8.505 | 0.000 | 2249.029 |