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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 | -177.2793267 | -177.6404452 | 0.3611185 | 0.0000000 | 177.6404452 | ||||||
| cm-1 | 9143.1 | 9309.5 | -166.4 | ||||||||
| eV | -4824.016 | 1.134 | -4822.882 | -4833.842 | 1.154 | -4832.688 | 9.827 | -0.021 | 9.806 | 0.000 | 4833.842 |