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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 | -113.4826764 | -113.7830737 | 0.3003973 | 0.0000000 | 113.7830737 | ||||||
| cm-1 | 3477.9 | 2745.2 | 732.7 | ||||||||
| eV | -3088.021 | 0.431 | -3087.589 | -3096.195 | 0.340 | -3095.855 | 8.174 | 0.091 | 8.265 | 0.000 | 3096.195 |