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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 | -114.1311384 | -114.5235630 | 0.3924246 | 0.0000000 | 114.5235630 | ||||||
| cm-1 | 4988.6 | 5581.8 | -593.2 | ||||||||
| eV | -3105.666 | 0.619 | -3105.048 | -3116.345 | 0.692 | -3115.653 | 10.678 | -0.074 | 10.605 | 0.000 | 3116.345 |