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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 | -278.4484844 | -278.9362430 | 0.4877587 | 0.0000000 | 278.9362430 | ||||||
| cm-1 | 3105.4 | 3066.4 | 38.9 | ||||||||
| eV | -7576.969 | 0.385 | -7576.584 | -7590.241 | 0.380 | -7589.861 | 13.273 | 0.005 | 13.277 | 0.000 | 7590.241 |