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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 | -37.9921967 | -38.3825525 | 0.3903558 | -37.9921465 | 0.3904060 | ||||||
| cm-1 | 1394.6 | 1396.0 | -1.3 | ||||||||
| eV | -1033.820 | 0.173 | -1033.647 | -1044.442 | 0.173 | -1044.269 | 10.622 | -0.000 | 10.622 | -1033.819 | 10.623 |