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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 | -92.7114155 | -93.1943896 | 0.4829741 | 0.0000000 | 93.1943896 | ||||||
| cm-1 | 4129.9 | 3487.3 | 642.7 | ||||||||
| eV | -2522.806 | 0.512 | -2522.294 | -2535.948 | 0.432 | -2535.516 | 13.142 | 0.080 | 13.222 | 0.000 | 2535.948 |