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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 | -131.0432694 | -131.3635197 | 0.3202503 | 0.0000000 | 131.3635197 | ||||||
| cm-1 | 8385.6 | 8493.5 | -108.0 | ||||||||
| eV | -3565.869 | 1.040 | -3564.829 | -3574.583 | 1.053 | -3573.530 | 8.714 | -0.013 | 8.701 | 0.000 | 3574.583 |