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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 | -77.3597800 | -77.6686668 | 0.3088868 | 0.0000000 | 77.6686668 | ||||||
cm-1 | 7146.8 | 8020.5 | -873.7 | ||||||||
eV | -2105.067 | 0.886 | -2104.181 | -2113.472 | 0.994 | -2112.477 | 8.405 | -0.108 | 8.297 | 0.000 | 2113.472 |