| Empirical | Chemical Name | Expt. | PM7 |
PM6 |
| CH3Br | Bromomethane | -9.10 | 1.64 | 3.45 |
| C2H3Br | Bromoethylene | 18.71 | -1.82 | -1.37 |
| C2H5Br | Bromoethane | -15.20 | 1.22 | 2.18 |
| C3H5Br | 3-Bromopropene | 10.90 | 0.18 | 0.31 |
| C3H7Br | 1-Bromopropane | -20.50 | 1.44 | 2.30 |
| C3H7Br | 2-Bromopropane | -23.50 | 2.19 | 1.63 |
| C6H5Br | Bromobenzene | 25.20 | 0.99 | 0.45 |
| C10H7Br | 1-Bromonaphthalene | 41.66 | 2.58 | 0.99 |
| C10H7Br | 2-Bromonaphthalene | 41.97 | 1.28 | -0.22 |
| C12H25Br | 1-Bromo-dodecane | -64.50 | -0.33 | 1.39 |
| C16H33Br | 1-Bromo-hexadecane | -83.70 | -1.54 | 0.58 |
| CH2Br2 | Dibromomethane | -3.53 | 4.32 | 6.33 |
| C2H4Br2 | 1,1-Dibromoethane | -9.80 | 2.09 | 2.34 |
| C4H8Br2 | 1,4-Dibromobutane | -20.55 | 1.37 | 1.11 |
| CHBr3 | Bromoform | 4.40 | 5.09 | 7.99 |
| C2H3Br3 | 1,1,1-Tribromoethane | -1.10 | 0.77 | 1.16 |