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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 | -204.7728452 | -205.1654949 | 0.3926498 | 0.0000000 | 205.1654949 | ||||||
| cm-1 | 4615.3 | 4344.2 | 271.1 | ||||||||
| eV | -5572.152 | 0.572 | -5571.580 | -5582.837 | 0.539 | -5582.298 | 10.685 | 0.034 | 10.718 | 0.000 | 5582.837 |