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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 | -82.1521840 | -82.4358398 | 0.2836558 | 0.0000000 | 82.4358398 | ||||||
| cm-1 | 159.1 | 403.3 | -244.1 | ||||||||
| eV | -2235.475 | 0.020 | -2235.455 | -2243.193 | 0.050 | -2243.143 | 7.719 | -0.030 | 7.688 | 0.000 | 2243.193 |