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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 | -94.1049899 | -94.4703643 | 0.3653744 | 0.0000000 | 94.4703643 | ||||||
cm-1 | 7885.2 | 8633.1 | -748.0 | ||||||||
eV | -2560.727 | 0.978 | -2559.749 | -2570.669 | 1.070 | -2569.599 | 9.942 | -0.093 | 9.850 | 0.000 | 2570.669 |