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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 | -237.5070548 | -237.8221173 | 0.3150626 | 0.0000000 | 237.8221173 | ||||||
| cm-1 | 4654.5 | 4206.2 | 448.3 | ||||||||
| eV | -6462.896 | 0.577 | -6462.319 | -6471.469 | 0.521 | -6470.947 | 8.573 | 0.056 | 8.629 | 0.000 | 6471.469 |