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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 | -77.1087552 | -77.4270184 | 0.3182633 | 0.0000000 | 77.4270184 | ||||||
| cm-1 | 7487.5 | 7921.0 | -433.5 | ||||||||
| eV | -2098.236 | 0.928 | -2097.308 | -2106.896 | 0.982 | -2105.914 | 8.660 | -0.054 | 8.607 | 0.000 | 2106.896 |