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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 | -76.9082063 | -77.3184014 | 0.4101951 | 0.0000000 | 77.3184014 | ||||||
| cm-1 | 5481.4 | 5619.7 | -138.4 | ||||||||
| eV | -2092.779 | 0.680 | -2092.099 | -2103.941 | 0.697 | -2103.244 | 11.162 | -0.017 | 11.145 | 0.000 | 2103.941 |