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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 | -92.9769364 | -93.2870936 | 0.3101572 | 0.0000000 | 93.2870936 | ||||||
cm-1 | 7253.1 | 8173.4 | -920.4 | ||||||||
eV | -2530.031 | 0.899 | -2529.132 | -2538.471 | 1.013 | -2537.458 | 8.440 | -0.114 | 8.326 | 0.000 | 2538.471 |