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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 | -2150.0928713 | -2150.5184546 | 0.4255833 | 0.0000000 | 2150.5184546 | ||||||
| cm-1 | 388.5 | 275.8 | 112.6 | ||||||||
| eV | -58507.002 | 0.048 | -58506.954 | -58518.583 | 0.034 | -58518.549 | 11.581 | 0.014 | 11.595 | 0.000 | 58518.583 |