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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 | -113.8571116 | -114.2569919 | 0.3998803 | 0.0000000 | 114.2569919 | ||||||
| cm-1 | 5173.6 | 5624.9 | -451.3 | ||||||||
| eV | -3098.210 | 0.641 | -3097.568 | -3109.091 | 0.697 | -3108.393 | 10.881 | -0.056 | 10.825 | 0.000 | 3109.091 |