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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 | -113.5326020 | -113.8303833 | 0.2977813 | 0.0000000 | 113.8303833 | ||||||
| cm-1 | 3471.8 | 2717.8 | 754.1 | ||||||||
| eV | -3089.379 | 0.430 | -3088.949 | -3097.482 | 0.337 | -3097.145 | 8.103 | 0.093 | 8.197 | 0.000 | 3097.482 |