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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 | -26.1591310 | -26.5972573 | 0.4381263 | 0.0000000 | 26.5972573 | ||||||
| cm-1 | 4543.7 | 5548.7 | -1005.0 | ||||||||
| eV | -711.826 | 0.563 | -711.263 | -723.748 | 0.688 | -723.060 | 11.922 | -0.125 | 11.797 | 0.000 | 723.748 |