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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 | -116.8441020 | -117.1448980 | 0.3007960 | 0.0000000 | 117.1448980 | ||||||
| cm-1 | 16121.2 | 15255.2 | 865.9 | ||||||||
| eV | -3179.490 | 1.999 | -3177.491 | -3187.675 | 1.891 | -3185.783 | 8.185 | 0.107 | 8.292 | 0.000 | 3187.675 |