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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 | -94.0913600 | -94.4535780 | 0.3622180 | 0.0000000 | 94.4535780 | ||||||
cm-1 | 7616.9 | 8353.5 | -736.5 | ||||||||
eV | -2560.356 | 0.944 | -2559.412 | -2570.213 | 1.036 | -2569.177 | 9.856 | -0.091 | 9.765 | 0.000 | 2570.213 |