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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 | -884.7187745 | -884.9512481 | 0.2324735 | 0.0000000 | 884.9512481 | ||||||
cm-1 | 2577.9 | 2442.9 | 134.9 | ||||||||
eV | -24074.422 | 0.320 | -24074.103 | -24080.748 | 0.303 | -24080.445 | 6.326 | 0.017 | 6.343 | 0.000 | 24080.748 |