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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 | -129.9620915 | -130.3168519 | 0.3547604 | 0.0000000 | 130.3168519 | ||||||
| cm-1 | 2780.0 | 2868.9 | -89.0 | ||||||||
| eV | -3536.448 | 0.345 | -3536.104 | -3546.102 | 0.356 | -3545.746 | 9.654 | -0.011 | 9.642 | 0.000 | 3546.102 |