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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 | -136.3631930 | -136.5913349 | 0.2281419 | 0.0000000 | 136.5913349 | ||||||
cm-1 | 5359.1 | 5261.2 | 98.0 | ||||||||
eV | -3710.631 | 0.664 | -3709.967 | -3716.839 | 0.652 | -3716.187 | 6.208 | 0.012 | 6.220 | 0.000 | 3716.839 |