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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 | -421.7612286 | -422.1844325 | 0.4232039 | 0.0000000 | 422.1844325 | ||||||
| cm-1 | 601.3 | 569.9 | 31.4 | ||||||||
| eV | -11476.707 | 0.075 | -11476.632 | -11488.223 | 0.071 | -11488.152 | 11.516 | 0.004 | 11.520 | 0.000 | 11488.223 |