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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 | -26.1162408 | -26.5499198 | 0.4336791 | 0.0000000 | 26.5499198 | ||||||
| cm-1 | 4512.7 | 5537.6 | -1024.8 | ||||||||
| eV | -710.659 | 0.560 | -710.100 | -722.460 | 0.687 | -721.773 | 11.801 | -0.127 | 11.674 | 0.000 | 722.460 |