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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 | -375.2335592 | -375.5977174 | 0.3641581 | 0.0000000 | 375.5977174 | ||||||
| cm-1 | 6337.5 | 6163.6 | 173.9 | ||||||||
| eV | -10210.624 | 0.786 | -10209.839 | -10220.534 | 0.764 | -10219.769 | 9.909 | 0.022 | 9.931 | 0.000 | 10220.534 |