| Empirical | Chemical Name | Expt. | PM7 |
PM6 |
| CH2F | Fluoromethyl, cation | 200.30 | 1.51 | 1.05 |
| CH3F | Fluoromethane | -56.80 | 7.42 | 3.24 |
| C2HF | Fluoroacetylene | 30.00 | -6.48 | -8.55 |
| C2H3F | Fluoroethylene | -32.50 | 0.23 | -0.79 |
| C2H4F | CH3CHF, cation | 166.00 | -0.52 | -2.10 |
| C2H5F | Fluoroethane | -62.90 | 3.64 | 0.96 |
| C3H7F | 2-Fluoropropane | -69.40 | -0.34 | -1.93 |
| C6H5F | Fluorobenzene | -27.76 | 3.16 | 3.44 |
| C6H11F | Fluorocyclohexane | -80.45 | 6.09 | 2.85 |
| C9H19F | 1-Fluorononane | -101.20 | 6.66 | 4.59 |
| CHF2 | Difluoromethyl, cation | 142.40 | 6.58 | 4.45 |
| CH2F2 | Difluoromethane, cation | 185.20 | -7.51 | -12.14 |
| CH2F2 | Difluoromethane | -108.13 | 10.05 | 3.39 |
| C2H2F2 | gem-Difluoroethylene | -80.50 | 6.92 | 3.87 |
| C2H3F2 | CH3CF2, cation | 107.00 | 7.56 | 5.36 |
| C2H4F2 | 1,1-Difluoroethane | -118.80 | 5.54 | 1.74 |
| C6H4F2 | 1,2-Difluorobenzene | -67.65 | -0.86 | -0.65 |
| C6H4F2 | 1,3-Difluorobenzene | -73.90 | 2.43 | 1.44 |
| C6H4F2 | 1,4-Difluorobenzene | -73.30 | 2.40 | 2.00 |
| CHF3 | Trifluoromethane, cation | 151.90 | -1.92 | -7.00 |
| CHF3 | Trifluoromethane | -166.30 | 9.16 | 3.63 |
| C2HF3 | Trifluoroethylene | -117.30 | -4.65 | -7.71 |
| C2H2F3 | CF3CH2, cation | 114.00 | -0.43 | -1.70 |
| C2H2F3 | CH2F.CF2, cation | 81.00 | 9.09 | 3.43 |
| C2H2F3 | CF3CH2. | -123.60 | -10.00 | -14.08 |
| C2H3F3 | 1,1,1-Trifluoroethane | -178.90 | 4.15 | 2.30 |
| C7H5F3 | (Trifluoromethyl)-benzene | -138.87 | 1.37 | -0.44 |
| C7H5F3 | Trifluoromethylbenzene | -143.20 | 5.75 | 3.95 |
| C6H2F4 | 1,2,4,5-Tetrafluorobenzene | -154.60 | -2.23 | -3.19 |
| C7H4F4 | 1-Fluoro-3-(trifluoro-methyl)benzene | -189.35 | 6.01 | 3.43 |
| C6HF5 | Pentafluorobenzene | -192.50 | -4.41 | -5.43 |
| C7H3F5 | 2,3,4,5,6-Pentafluorotoluene | -201.60 | -4.03 | -4.38 |