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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 | -253.8510198 | -254.2830382 | 0.4320184 | 0.0000000 | 254.2830382 | ||||||
| cm-1 | 1653.2 | 1296.0 | 357.2 | ||||||||
| eV | -6907.638 | 0.205 | -6907.433 | -6919.393 | 0.161 | -6919.233 | 11.756 | 0.044 | 11.800 | 0.000 | 6919.393 |