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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 | -106.7896148 | -107.1761525 | 0.3865377 | 0.0000000 | 107.1761525 | ||||||
| cm-1 | 145.8 | 444.2 | -298.4 | ||||||||
| eV | -2905.893 | 0.018 | -2905.875 | -2916.411 | 0.055 | -2916.356 | 10.518 | -0.037 | 10.481 | 0.000 | 2916.411 |