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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 | -123.7486496 | -124.1031842 | 0.3545346 | -123.7447602 | 0.3584240 | ||||||
| cm-1 | 801.3 | 660.9 | 140.5 | ||||||||
| eV | -3367.372 | 0.099 | -3367.273 | -3377.019 | 0.082 | -3376.937 | 9.647 | 0.017 | 9.665 | -3367.266 | 9.753 |