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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 | -738.3461740 | -738.6308080 | 0.2846340 | 0.0000000 | 738.6308080 | ||||||
| cm-1 | 492.6 | 273.7 | 218.9 | ||||||||
| eV | -20091.421 | 0.061 | -20091.360 | -20099.166 | 0.034 | -20099.133 | 7.745 | 0.027 | 7.772 | 0.000 | 20099.166 |