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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 | -226.1096659 | -226.4745766 | 0.3649107 | 0.0000000 | 226.4745766 | ||||||
| cm-1 | 7194.4 | 7802.3 | -607.9 | ||||||||
| eV | -6152.757 | 0.892 | -6151.865 | -6162.687 | 0.967 | -6161.719 | 9.930 | -0.075 | 9.854 | 0.000 | 6162.687 |