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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 | -618.1797246 | -618.4823781 | 0.3026535 | 0.0000000 | 618.4823781 | ||||||
| cm-1 | 71.3 | 164.0 | -92.7 | ||||||||
| eV | -16821.526 | 0.009 | -16821.517 | -16829.761 | 0.020 | -16829.741 | 8.236 | -0.011 | 8.224 | 0.000 | 16829.761 |