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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 | -99.3992475 | -99.6725150 | 0.2732675 | 0.0000000 | 99.6725150 | ||||||
| cm-1 | 55.1 | 257.8 | -202.6 | ||||||||
| eV | -2704.791 | 0.007 | -2704.784 | -2712.227 | 0.032 | -2712.195 | 7.436 | -0.025 | 7.411 | 0.000 | 2712.227 |