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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 | -7.6873312 | -7.9490853 | 0.2617541 | 0.0000000 | 7.9490853 | ||||||
cm-1 | 181.1 | 626.5 | -445.4 | ||||||||
eV | -209.183 | 0.022 | -209.160 | -216.306 | 0.078 | -216.228 | 7.123 | -0.055 | 7.067 | 0.000 | 216.306 |