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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 | -99.8287127 | -100.4025140 | 0.5738013 | 0.0000000 | 100.4025140 | ||||||
| cm-1 | 1429.7 | 1960.4 | -530.7 | ||||||||
| eV | -2716.477 | 0.177 | -2716.300 | -2732.091 | 0.243 | -2731.848 | 15.614 | -0.066 | 15.548 | 0.000 | 2732.091 |