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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 | -38.0004235 | -38.3782193 | 0.3777958 | 0.0000000 | 38.3782193 | ||||||
| cm-1 | 1392.9 | 1356.9 | 36.0 | ||||||||
| eV | -1034.044 | 0.173 | -1033.871 | -1044.324 | 0.168 | -1044.156 | 10.280 | 0.004 | 10.285 | 0.000 | 1044.324 |