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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 | -112.8801434 | -113.2218200 | 0.3416766 | -112.8775905 | 0.3442295 | ||||||
| cm-1 | 5353.1 | 5759.6 | -406.6 | ||||||||
| eV | -3071.625 | 0.664 | -3070.961 | -3080.922 | 0.714 | -3080.208 | 9.297 | -0.050 | 9.247 | -3071.555 | 9.367 |