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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 | -388.0208125 | -388.2962094 | 0.2753969 | 0.0000000 | 388.2962094 | ||||||
| cm-1 | 431.4 | 369.0 | 62.4 | ||||||||
| eV | -10558.583 | 0.053 | -10558.530 | -10566.077 | 0.046 | -10566.031 | 7.494 | 0.008 | 7.502 | 0.000 | 10566.077 |