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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 | -790.1786269 | -790.4585302 | 0.2799033 | 0.0000000 | 790.4585302 | ||||||
| cm-1 | 304.2 | 271.1 | 33.1 | ||||||||
| eV | -21501.854 | 0.038 | -21501.816 | -21509.470 | 0.034 | -21509.437 | 7.617 | 0.004 | 7.621 | 0.000 | 21509.470 |