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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 | -320.3465594 | -320.2587571 | -0.0878023 | 0.0000000 | 320.2587571 | ||||||
| cm-1 | 193.6 | 240.1 | -46.5 | ||||||||
| eV | -8717.073 | 0.024 | -8717.049 | -8714.684 | 0.030 | -8714.654 | -2.389 | -0.006 | -2.395 | 0.000 | 8714.684 |