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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 | -274.9474494 | -275.2177343 | 0.2702848 | 0.0000000 | 275.2177343 | ||||||
| cm-1 | 350.1 | 400.4 | -50.4 | ||||||||
| eV | -7481.701 | 0.043 | -7481.657 | -7489.055 | 0.050 | -7489.006 | 7.355 | -0.006 | 7.349 | 0.000 | 7489.055 |