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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 | -38.4085263 | -38.7760032 | 0.3674768 | 0.0000000 | 38.7760032 | ||||||
| cm-1 | 3482.6 | 3703.9 | -221.3 | ||||||||
| eV | -1045.149 | 0.432 | -1044.717 | -1055.149 | 0.459 | -1054.689 | 10.000 | -0.027 | 9.972 | 0.000 | 1055.149 |