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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 | -404.8474767 | -405.1151764 | 0.2676998 | 0.0000000 | 405.1151764 | ||||||
| cm-1 | 171.7 | 278.9 | -107.2 | ||||||||
| eV | -11016.460 | 0.021 | -11016.439 | -11023.745 | 0.035 | -11023.710 | 7.284 | -0.013 | 7.271 | 0.000 | 11023.745 |