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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 | -177.4092561 | -177.7806994 | 0.3714434 | 0.0000000 | 177.7806994 | ||||||
| cm-1 | 9101.9 | 9289.7 | -187.8 | ||||||||
| eV | -4827.551 | 1.128 | -4826.423 | -4837.659 | 1.152 | -4836.507 | 10.107 | -0.023 | 10.084 | 0.000 | 4837.659 |