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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 | -93.0928260 | -93.3763657 | 0.2835397 | -93.0865487 | 0.2898170 | ||||||
| cm-1 | 5501.8 | 5689.8 | -188.1 | ||||||||
| eV | -2533.185 | 0.682 | -2532.502 | -2540.900 | 0.705 | -2540.195 | 7.716 | -0.023 | 7.692 | -2533.014 | 7.886 |