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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 | -14.8775705 | -15.1761777 | 0.2986072 | 0.0000000 | 15.1761777 | ||||||
| cm-1 | 1019.2 | 960.4 | 58.9 | ||||||||
| eV | -404.839 | 0.126 | -404.713 | -412.965 | 0.119 | -412.846 | 8.126 | 0.007 | 8.133 | 0.000 | 412.965 |