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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 | -75.8081657 | -76.2434048 | 0.4352391 | 0.0000000 | 76.2434048 | ||||||
| cm-1 | 4012.2 | 4548.8 | -536.7 | ||||||||
| eV | -2062.845 | 0.497 | -2062.348 | -2074.689 | 0.564 | -2074.125 | 11.843 | -0.067 | 11.777 | 0.000 | 2074.689 |