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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 | -24.9332010 | -25.2828867 | 0.3496858 | 0.0000000 | 25.2828867 | ||||||
| cm-1 | 1229.3 | 1124.9 | 104.4 | ||||||||
| eV | -678.467 | 0.152 | -678.314 | -687.982 | 0.139 | -687.843 | 9.515 | 0.013 | 9.528 | 0.000 | 687.982 |