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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 | -608.5936919 | -609.0217375 | 0.4280456 | 0.0000000 | 609.0217375 | ||||||
| cm-1 | 1407.0 | 1097.6 | 309.4 | ||||||||
| eV | -16560.677 | 0.174 | -16560.502 | -16572.324 | 0.136 | -16572.188 | 11.648 | 0.038 | 11.686 | 0.000 | 16572.324 |