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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 | -94.2747335 | -94.6290604 | 0.3543269 | 0.0000000 | 94.6290604 | ||||||
cm-1 | 7714.5 | 8428.1 | -713.6 | ||||||||
eV | -2565.346 | 0.956 | -2564.389 | -2574.988 | 1.045 | -2573.943 | 9.642 | -0.088 | 9.553 | 0.000 | 2574.988 |