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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 | -2646.2886700 | -2646.6647680 | 0.3760980 | 0.0000000 | 2646.6647680 | ||||||
| cm-1 | 358.6 | 305.3 | 53.3 | ||||||||
| eV | -72009.177 | 0.044 | -72009.132 | -72019.411 | 0.038 | -72019.373 | 10.234 | 0.007 | 10.241 | 0.000 | 72019.411 |