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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 | -1416.5281841 | -1416.8066024 | 0.2784183 | 0.0000000 | 1416.8066024 | ||||||
| cm-1 | 1848.2 | 1573.2 | 275.0 | ||||||||
| eV | -38545.692 | 0.229 | -38545.463 | -38553.268 | 0.195 | -38553.073 | 7.576 | 0.034 | 7.610 | 0.000 | 38553.268 |