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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 | -131.9381122 | -132.3038850 | 0.3657729 | 0.0000000 | 132.3038850 | ||||||
| cm-1 | 9592.4 | 9449.0 | 143.4 | ||||||||
| eV | -3590.219 | 1.189 | -3589.029 | -3600.172 | 1.172 | -3599.000 | 9.953 | 0.018 | 9.971 | 0.000 | 3600.172 |