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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 | -558.9301539 | -559.3918481 | 0.4616942 | 0.0000000 | 559.3918481 | ||||||
| cm-1 | 479.6 | 383.4 | 96.2 | ||||||||
| eV | -15209.263 | 0.059 | -15209.204 | -15221.826 | 0.048 | -15221.779 | 12.563 | 0.012 | 12.575 | 0.000 | 15221.826 |