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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 | -112.8464068 | -113.3667645 | 0.5203577 | 0.0000000 | 113.3667645 | ||||||
| cm-1 | 1112.0 | 1072.6 | 39.4 | ||||||||
| eV | -3070.707 | 0.138 | -3070.569 | -3084.867 | 0.133 | -3084.734 | 14.160 | 0.005 | 14.165 | 0.000 | 3084.867 |