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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 | -229.5640579 | -229.8719241 | 0.3078662 | 0.0000000 | 229.8719241 | ||||||
| cm-1 | 14584.7 | 14739.2 | -154.5 | ||||||||
| eV | -6246.756 | 1.808 | -6244.947 | -6255.133 | 1.827 | -6253.306 | 8.377 | -0.019 | 8.358 | 0.000 | 6255.133 |