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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 | -38.0276184 | -38.4255339 | 0.3979155 | 0.0000000 | 38.4255339 | ||||||
| cm-1 | 2763.6 | 1348.4 | 1415.2 | ||||||||
| eV | -1034.784 | 0.343 | -1034.441 | -1045.612 | 0.167 | -1045.445 | 10.828 | 0.175 | 11.003 | 0.000 | 1045.612 |