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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 | -609.1012156 | -609.5084785 | 0.4072630 | 0.0000000 | 609.5084785 | ||||||
| cm-1 | 1170.3 | 1009.6 | 160.7 | ||||||||
| eV | -16574.487 | 0.145 | -16574.342 | -16585.569 | 0.125 | -16585.444 | 11.082 | 0.020 | 11.102 | 0.000 | 16585.569 |