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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 | -323.5865931 | -324.1556080 | 0.5690149 | 0.0000000 | 324.1556080 | ||||||
cm-1 | 2160.5 | 2638.7 | -478.2 | ||||||||
eV | -8805.239 | 0.268 | -8804.971 | -8820.723 | 0.327 | -8820.396 | 15.484 | -0.059 | 15.424 | 0.000 | 8820.723 |