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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 | -114.0989781 | -114.4815720 | 0.3825940 | 0.0000000 | 114.4815720 | ||||||
| cm-1 | 5017.2 | 5601.7 | -584.5 | ||||||||
| eV | -3104.791 | 0.622 | -3104.169 | -3115.202 | 0.695 | -3114.507 | 10.411 | -0.072 | 10.338 | 0.000 | 3115.202 |