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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 | -389.0116758 | -389.2823871 | 0.2707114 | 0.0000000 | 389.2823871 | ||||||
| cm-1 | 474.9 | 389.1 | 85.8 | ||||||||
| eV | -10585.546 | 0.059 | -10585.487 | -10592.912 | 0.048 | -10592.864 | 7.366 | 0.011 | 7.377 | 0.000 | 10592.912 |