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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 | -113.8353795 | -114.1623006 | 0.3269211 | 0.0000000 | 114.1623006 | ||||||
| cm-1 | 689.5 | 590.3 | 99.2 | ||||||||
| eV | -3097.618 | 0.085 | -3097.533 | -3106.514 | 0.073 | -3106.441 | 8.896 | 0.012 | 8.908 | 0.000 | 3106.514 |