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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 | -17.9199376 | -18.2721952 | 0.3522575 | 0.0000000 | 18.2721952 | ||||||
| cm-1 | 206.0 | 179.5 | 26.5 | ||||||||
| eV | -487.626 | 0.026 | -487.601 | -497.212 | 0.022 | -497.189 | 9.585 | 0.003 | 9.589 | 0.000 | 497.212 |