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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 | -78.2262509 | -78.5977307 | 0.3714799 | 0.0000000 | 78.5977307 | ||||||
| cm-1 | 10364.6 | 10843.1 | -478.5 | ||||||||
| eV | -2128.645 | 1.285 | -2127.359 | -2138.753 | 1.344 | -2137.409 | 10.108 | -0.059 | 10.049 | 0.000 | 2138.753 |