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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 | -92.8681918 | -93.3630833 | 0.4948915 | 0.0000000 | 93.3630833 | ||||||
| cm-1 | 3186.2 | 3550.4 | -364.2 | ||||||||
| eV | -2527.072 | 0.395 | -2526.677 | -2540.539 | 0.440 | -2540.099 | 13.467 | -0.045 | 13.422 | 0.000 | 2540.539 |