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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 | -93.0629239 | -93.3596512 | 0.2967274 | 0.0000000 | 93.3596512 | ||||||
| cm-1 | 5647.6 | 5804.7 | -157.1 | ||||||||
| eV | -2532.371 | 0.700 | -2531.671 | -2540.445 | 0.720 | -2539.726 | 8.074 | -0.019 | 8.055 | 0.000 | 2540.445 |