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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 | -105.5202341 | -105.8112044 | 0.2909704 | 0.0000000 | 105.8112044 | ||||||
| cm-1 | 231.8 | 585.9 | -354.1 | ||||||||
| eV | -2871.352 | 0.029 | -2871.323 | -2879.269 | 0.073 | -2879.197 | 7.918 | -0.044 | 7.874 | 0.000 | 2879.269 |