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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 | -739.2019353 | -739.4907284 | 0.2887931 | 0.0000000 | 739.4907284 | ||||||
| cm-1 | 395.3 | 341.6 | 53.7 | ||||||||
| eV | -20114.708 | 0.049 | -20114.659 | -20122.566 | 0.042 | -20122.524 | 7.858 | 0.007 | 7.865 | 0.000 | 20122.566 |