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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 | -7.0211905 | -7.3813836 | 0.3601931 | 0.0000000 | 7.3813836 | ||||||
| cm-1 | 6609.7 | 6284.7 | 325.0 | ||||||||
| eV | -191.056 | 0.819 | -190.237 | -200.858 | 0.779 | -200.078 | 9.801 | 0.040 | 9.842 | 0.000 | 200.858 |