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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 | -77.6043077 | -77.9250841 | 0.3207764 | 0.0000000 | 77.9250841 | ||||||
| cm-1 | 7356.9 | 7715.0 | -358.1 | ||||||||
| eV | -2111.721 | 0.912 | -2110.808 | -2120.449 | 0.957 | -2119.493 | 8.729 | -0.044 | 8.684 | 0.000 | 2120.449 |