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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 | -324.0042960 | -324.5134953 | 0.5091992 | 0.0000000 | 324.5134953 | ||||||
| cm-1 | 2072.2 | 2643.3 | -571.2 | ||||||||
| eV | -8816.605 | 0.257 | -8816.348 | -8830.461 | 0.328 | -8830.134 | 13.856 | -0.071 | 13.785 | 0.000 | 8830.461 |