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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 | -152.4707704 | -152.7144481 | 0.2436777 | 0.0000000 | 152.7144481 | ||||||
| cm-1 | 14262.6 | 13784.3 | 478.2 | ||||||||
| eV | -4148.941 | 1.768 | -4147.172 | -4155.571 | 1.709 | -4153.862 | 6.631 | 0.059 | 6.690 | 0.000 | 4155.571 |