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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 | -152.4779629 | -152.7107674 | 0.2328045 | -152.4281314 | 0.2826360 | ||||||
| cm-1 | 9408.4 | 9198.3 | 210.1 | ||||||||
| eV | -4149.136 | 1.166 | -4147.970 | -4155.471 | 1.140 | -4154.331 | 6.335 | 0.026 | 6.361 | -4147.780 | 7.691 |