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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 | -422.5420668 | -422.9469577 | 0.4048909 | 0.0000000 | 422.9469577 | ||||||
| cm-1 | 575.1 | 562.1 | 13.0 | ||||||||
| eV | -11497.954 | 0.071 | -11497.883 | -11508.972 | 0.070 | -11508.902 | 11.018 | 0.002 | 11.019 | 0.000 | 11508.972 |