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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 | -26.1763633 | -26.6158442 | 0.4394809 | 0.0000000 | 26.6158442 | ||||||
| cm-1 | 4518.3 | 5584.7 | -1066.4 | ||||||||
| eV | -712.295 | 0.560 | -711.735 | -724.254 | 0.692 | -723.562 | 11.959 | -0.132 | 11.827 | 0.000 | 724.254 |