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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 | -315.3028466 | -315.6773349 | 0.3744883 | 0.0000000 | 315.6773349 | ||||||
| cm-1 | 463.5 | 449.8 | 13.7 | ||||||||
| eV | -8579.827 | 0.057 | -8579.769 | -8590.017 | 0.056 | -8589.961 | 10.190 | 0.002 | 10.192 | 0.000 | 8590.017 |