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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 | -2.7803494 | -3.0254231 | 0.2450737 | 0.0000000 | 3.0254231 | ||||||
| cm-1 | 2481.6 | 2082.9 | 398.7 | ||||||||
| eV | -75.657 | 0.308 | -75.349 | -82.326 | 0.258 | -82.068 | 6.669 | 0.049 | 6.718 | 0.000 | 82.326 |