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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 | -82.3988788 | -82.7233720 | 0.3244932 | 0.0000000 | 82.7233720 | ||||||
| cm-1 | 173.0 | 391.1 | -218.2 | ||||||||
| eV | -2242.188 | 0.021 | -2242.166 | -2251.017 | 0.048 | -2250.969 | 8.830 | -0.027 | 8.803 | 0.000 | 2251.017 |