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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 | -25.6204176 | -25.9275420 | 0.3071244 | 0.0000000 | 25.9275420 | ||||||
| cm-1 | 3647.1 | 3025.1 | 622.0 | ||||||||
| eV | -697.167 | 0.452 | -696.715 | -705.524 | 0.375 | -705.149 | 8.357 | 0.077 | 8.434 | 0.000 | 705.524 |