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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 | -413.3315879 | -413.5466755 | 0.2150875 | 0.0000000 | 413.5466755 | ||||||
| cm-1 | 474.0 | 305.7 | 168.3 | ||||||||
| eV | -11247.325 | 0.059 | -11247.266 | -11253.177 | 0.038 | -11253.139 | 5.853 | 0.021 | 5.874 | 0.000 | 11253.177 |