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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 | -115.2898810 | -115.6678885 | 0.3780075 | 0.0000000 | 115.6678885 | ||||||
| cm-1 | 9998.2 | 10846.8 | -848.6 | ||||||||
| eV | -3137.197 | 1.240 | -3135.958 | -3147.483 | 1.345 | -3146.138 | 10.286 | -0.105 | 10.181 | 0.000 | 3147.483 |