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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 | -113.2725942 | -113.5533769 | 0.2807827 | -113.2277249 | 0.3256521 | ||||||
| cm-1 | 3438.6 | 2752.9 | 685.8 | ||||||||
| eV | -3082.304 | 0.426 | -3081.878 | -3089.945 | 0.341 | -3089.603 | 7.640 | 0.085 | 7.726 | -3081.083 | 8.861 |