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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 | -341.2978578 | -341.6418012 | 0.3439434 | 0.0000000 | 341.6418012 | ||||||
| cm-1 | 455.9 | 398.4 | 57.5 | ||||||||
| eV | -9287.187 | 0.057 | -9287.130 | -9296.546 | 0.049 | -9296.497 | 9.359 | 0.007 | 9.366 | 0.000 | 9296.546 |