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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 | -129.9575651 | -130.3077381 | 0.3501729 | 0.0000000 | 130.3077381 | ||||||
| cm-1 | 2765.0 | 2887.2 | -122.2 | ||||||||
| eV | -3536.325 | 0.343 | -3535.982 | -3545.854 | 0.358 | -3545.496 | 9.529 | -0.015 | 9.514 | 0.000 | 3545.854 |