| Empirical | Chemical Name | Expt. | PM7 |
PM6 |
| CHCl | Chloromethylene | 80.00 | -5.54 | -4.06 |
| CH3Cl | Methyl chloride | -20.00 | 3.46 | 4.94 |
| CH4Cl | CH3ClH(+) | 189.00 | 2.63 | -11.96 |
| C2HCl | Chloroacetylene | 51.10 | 5.85 | 2.32 |
| C2H3Cl | Chloroethylene | 8.60 | -3.33 | -2.76 |
| C2H5Cl | Chloroethane | -26.80 | 1.27 | 2.93 |
| C3H5Cl | 2-Chloropropene | -5.00 | -2.57 | -2.34 |
| C3H7Cl | 1-Chloropropane | -31.60 | 0.94 | 2.64 |
| C3H7Cl | 2-Chloropropane | -34.60 | -0.64 | 0.54 |
| C4H9Cl | 1-Chloro-2-methylpropane | -38.10 | 1.09 | 3.07 |
| C4H9Cl | 2-Chloro-2-methylpropane | -43.00 | -2.25 | -2.03 |
| C5H11Cl | 1-Chloropentane | -41.80 | 1.11 | 2.93 |
| C6H5Cl | Chlorobenzene | 13.01 | 0.06 | 0.66 |
| C7H7Cl | Benzyl chloride | 4.50 | 2.13 | 4.96 |
| C8H9Cl | 1-Chloro-4-ethylbenzene | -0.90 | 0.59 | 1.45 |
| C10H7Cl | 1-Chloronaphthalene | 27.50 | 2.38 | 2.89 |
| C10H7Cl | 2-Chloronaphthalene | 32.80 | -2.66 | -3.06 |
| CHCl2 | CHCl2(+) | 212.00 | 9.98 | -1.04 |
| CH2Cl2 | Dichloromethane | -22.96 | 4.75 | 5.09 |
| C2H2Cl2 | 1,1-Dichloroethylene | 0.60 | -0.44 | -1.92 |
| C2H2Cl2 | cis-Dichloroethylene | 1.00 | -0.75 | -0.08 |
| C2H2Cl2 | trans-1,2-Dichloroethylene | 1.10 | -1.28 | -2.50 |
| C2H4Cl2 | 1,1-Dichloroethane | -30.50 | -1.06 | -0.48 |
| C2H4Cl2 | trans-1,2-Dichloroethane | -30.30 | 0.38 | 0.68 |
| C3H6Cl2 | 1,2-Dichloropropane | -38.90 | -1.51 | -0.59 |
| C6H4Cl2 | 1,2-Dichlorobenzene | 7.89 | -2.03 | -0.31 |
| C6H4Cl2 | 1,3-Dichlorobenzene | 6.72 | -2.31 | -2.58 |
| C6H4Cl2 | 1,4-Dichlorobenzene | 5.88 | -1.54 | -1.72 |
| CHCl3 | Chloroform | -24.66 | 4.74 | 3.69 |
| C2HCl3 | Trichloroethylene | -2.00 | -1.60 | -3.10 |
| C2H3Cl3 | 1,1,1-Trichloroethane | -35.50 | -0.81 | -1.35 |
| C2H3Cl3 | 1,2,2-Trichloroethane | -35.42 | 1.71 | 2.59 |
| C6H3Cl3 | 1,2,3-Trichlorobenzene | 1.97 | -2.79 | -0.14 |
| C6H3Cl3 | 1,2,4-Trichlorobenzene | 1.16 | -3.21 | -2.47 |
| C6H3Cl3 | 1,3,5-Trichlorobenzene | -0.61 | -2.68 | -3.99 |
| C2H2Cl4 | 1,1,2,2-Tetrachloroethane | -37.20 | 1.13 | 2.85 |
| C2H2Cl4 | 1,2,2,2-Tetrachloroethane | -32.42 | -4.43 | -2.33 |
| C6H2Cl4 | 1,2,3,4-Tetrachlorobenzene | -6.07 | -0.86 | 2.63 |
| C6H2Cl4 | 1,2,3,5-Tetrachlorobenzene | -8.34 | 0.32 | 1.84 |
| C6H2Cl4 | 1,2,4,5-Tetrachlorobenzene | -7.80 | -0.15 | 1.46 |
| C2HCl5 | Pentachloroethane | -33.90 | -4.47 | -0.04 |
| C6HCl5 | Pentachlorobenzene | -9.56 | -2.96 | 1.25 |
| C6H6Cl6 | gamma Hexachlorocyclohexane | -70.70 | -5.22 | 3.46 |