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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 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -499.6843114 | -500.0953866 | 0.4110752 | 0.0000000 | 500.0953866 | ||||||
| cm-1 | 6936.7 | 7952.4 | -1015.7 | ||||||||
| eV | -13597.102 | 0.860 | -13596.242 | -13608.288 | 0.986 | -13607.302 | 11.186 | -0.126 | 11.060 | 0.000 | 13608.288 |