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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 | -153.7112982 | -153.9434710 | 0.2321727 | 0.0000000 | 153.9434710 | ||||||
| cm-1 | 14563.3 | 14078.6 | 484.7 | ||||||||
| eV | -4182.697 | 1.806 | -4180.892 | -4189.015 | 1.746 | -4187.269 | 6.318 | 0.060 | 6.378 | 0.000 | 4189.015 |