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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 | -422.3530702 | -422.7756046 | 0.4225344 | 0.0000000 | 422.7756046 | ||||||
| cm-1 | 594.1 | 573.5 | 20.6 | ||||||||
| eV | -11492.812 | 0.074 | -11492.738 | -11504.309 | 0.071 | -11504.238 | 11.498 | 0.003 | 11.500 | 0.000 | 11504.309 |