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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 | -77.5195070 | -77.8330750 | 0.3135680 | 0.0000000 | 77.8330750 | ||||||
| cm-1 | 8045.8 | 8494.8 | -449.0 | ||||||||
| eV | -2109.413 | 0.998 | -2108.416 | -2117.946 | 1.053 | -2116.892 | 8.533 | -0.056 | 8.477 | 0.000 | 2117.946 |