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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 | -1779.3566013 | -1779.6362680 | 0.2796667 | -1779.3548813 | 0.2813867 | ||||||
| cm-1 | 923.6 | 743.4 | 180.2 | ||||||||
| eV | -48418.756 | 0.115 | -48418.641 | -48426.366 | 0.092 | -48426.273 | 7.610 | 0.022 | 7.632 | -48418.709 | 7.657 |