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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 | -7.0208589 | -7.3776960 | 0.3568371 | 0.0000000 | 7.3776960 | ||||||
| cm-1 | 6676.0 | 6320.5 | 355.5 | ||||||||
| eV | -191.047 | 0.828 | -190.220 | -200.757 | 0.784 | -199.974 | 9.710 | 0.044 | 9.754 | 0.000 | 200.757 |