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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 | -2150.0730044 | -2150.4941587 | 0.4211543 | 0.0000000 | 2150.4941587 | ||||||
| cm-1 | 392.2 | 439.3 | -47.1 | ||||||||
| eV | -58506.462 | 0.049 | -58506.413 | -58517.922 | 0.054 | -58517.868 | 11.460 | -0.006 | 11.454 | 0.000 | 58517.922 |