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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 | -434.9540996 | -435.3160349 | 0.3619353 | 0.0000000 | 435.3160349 | ||||||
| cm-1 | 570.0 | 642.8 | -72.8 | ||||||||
| eV | -11835.703 | 0.071 | -11835.632 | -11845.552 | 0.080 | -11845.472 | 9.849 | -0.009 | 9.840 | 0.000 | 11845.552 |