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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 | -94.1905560 | -94.5377466 | 0.3471906 | 0.0000000 | 94.5377466 | ||||||
cm-1 | 7925.1 | 8565.7 | -640.6 | ||||||||
eV | -2563.055 | 0.983 | -2562.073 | -2572.503 | 1.062 | -2571.441 | 9.448 | -0.079 | 9.368 | 0.000 | 2572.503 |