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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 | -404.8668862 | -405.1284856 | 0.2615994 | 0.0000000 | 405.1284856 | ||||||
| cm-1 | 152.9 | 270.6 | -117.7 | ||||||||
| eV | -11016.988 | 0.019 | -11016.969 | -11024.107 | 0.034 | -11024.073 | 7.118 | -0.015 | 7.104 | 0.000 | 11024.107 |