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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 | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -957.4193286 | -957.7156950 | 0.2963663 | 0.0000000 | 957.7156950 | ||||||
cm-1 | 3744.0 | 3374.4 | 369.6 | ||||||||
eV | -26052.705 | 0.464 | -26052.241 | -26060.769 | 0.418 | -26060.351 | 8.065 | 0.046 | 8.110 | 0.000 | 26060.769 |