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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 | -56.1884915 | -56.5571136 | 0.3686221 | 0.0000000 | 56.5571136 | ||||||
| cm-1 | 6948.0 | 7287.7 | -339.7 | ||||||||
| eV | -1528.967 | 0.861 | -1528.105 | -1538.997 | 0.904 | -1538.094 | 10.031 | -0.042 | 9.989 | 0.000 | 1538.997 |