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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 | -187.6198887 | -188.1063764 | 0.4864877 | 0.0000000 | 188.1063764 | ||||||
| cm-1 | 1698.6 | 2393.6 | -695.0 | ||||||||
| eV | -5105.397 | 0.211 | -5105.186 | -5118.635 | 0.297 | -5118.338 | 13.238 | -0.086 | 13.152 | 0.000 | 5118.635 |