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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 | -94.0860313 | -94.4530352 | 0.3670039 | 0.0000000 | 94.4530352 | ||||||
cm-1 | 7832.4 | 8440.0 | -607.6 | ||||||||
eV | -2560.211 | 0.971 | -2559.240 | -2570.198 | 1.046 | -2569.151 | 9.987 | -0.075 | 9.911 | 0.000 | 2570.198 |