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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 | -26.0738828 | -26.5127742 | 0.4388914 | 0.0000000 | 26.5127742 | ||||||
| cm-1 | 4584.9 | 5595.8 | -1011.0 | ||||||||
| eV | -709.506 | 0.568 | -708.938 | -721.449 | 0.694 | -720.755 | 11.943 | -0.125 | 11.817 | 0.000 | 721.449 |