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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 | -99.3897449 | -100.0052894 | 0.6155446 | 0.0000000 | 100.0052894 | ||||||
| cm-1 | 1326.9 | 1911.9 | -585.1 | ||||||||
| eV | -2704.532 | 0.165 | -2704.368 | -2721.282 | 0.237 | -2721.045 | 16.750 | -0.073 | 16.677 | 0.000 | 2721.282 |