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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 | -131.0483292 | -131.3671951 | 0.3188658 | 0.0000000 | 131.3671951 | ||||||
| cm-1 | 8378.8 | 8515.0 | -136.2 | ||||||||
| eV | -3566.006 | 1.039 | -3564.968 | -3574.683 | 1.056 | -3573.627 | 8.677 | -0.017 | 8.660 | 0.000 | 3574.683 |