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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 | -55.8887389 | -56.2009686 | 0.3122297 | 0.0000000 | 56.2009686 | ||||||
cm-1 | 6975.7 | 7389.7 | -414.0 | ||||||||
eV | -1520.810 | 0.865 | -1519.945 | -1529.306 | 0.916 | -1528.390 | 8.496 | -0.051 | 8.445 | 0.000 | 1529.306 |