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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 | -93.7179785 | -94.0638234 | 0.3458449 | 0.0000000 | 94.0638234 | ||||||
cm-1 | 7635.4 | 8366.1 | -730.7 | ||||||||
eV | -2550.196 | 0.947 | -2549.249 | -2559.607 | 1.037 | -2558.570 | 9.411 | -0.091 | 9.320 | 0.000 | 2559.607 |