Updated Results Table for Exercise 4.14
The results given in the text on page 191 are for the B3LYP method rather than for APFD. Here is an updated table incorporating the results from both functionals (all values are in au):
| β∥ | γ∥ | |||||
| calc. | calc. | |||||
| molec. | B3LYP | APFD | exp. | B3LYP | APFD | exp. |
| CH3CN | 28.1 | 25.6 | 26.3 | 4567 | 4204 | 4619 |
| CH3F | 43.0 | 51.8 | -57.0 | 1766 | 1681 | 2617 |
| CH3Cl | 13.2 | 15.8 | 13.3 | 3404 | 3229 | 6860 |
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