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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 | -402.9453295 | -403.2023117 | 0.2569822 | 0.0000000 | 403.2023117 | ||||||
| cm-1 | 156.4 | 270.9 | -114.5 | ||||||||
| eV | -10964.700 | 0.019 | -10964.681 | -10971.693 | 0.034 | -10971.659 | 6.993 | -0.014 | 6.979 | 0.000 | 10971.693 |