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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 | -26.1115795 | -26.5442160 | 0.4326365 | 0.0000000 | 26.5442160 | ||||||
| cm-1 | 4515.6 | 5572.4 | -1056.8 | ||||||||
| eV | -710.532 | 0.560 | -709.972 | -722.305 | 0.691 | -721.614 | 11.773 | -0.131 | 11.642 | 0.000 | 722.305 |