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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 | -404.8752083 | -405.1475346 | 0.2723264 | 0.0000000 | 405.1475346 | ||||||
| cm-1 | 154.4 | 261.8 | -107.4 | ||||||||
| eV | -11017.215 | 0.019 | -11017.196 | -11024.625 | 0.032 | -11024.593 | 7.410 | -0.013 | 7.397 | 0.000 | 11024.625 |