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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 | -91.3992280 | -91.8830182 | 0.4837902 | 0.0000000 | 91.8830182 | ||||||
| cm-1 | 879.2 | 972.6 | -93.4 | ||||||||
| eV | -2487.099 | 0.109 | -2486.990 | -2500.264 | 0.121 | -2500.143 | 13.165 | -0.012 | 13.153 | 0.000 | 2500.264 |