@MOLECULE difluoroacetate 6 4 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4498 0.0595 -0.0108 C.1 1 UNL1 0.6448 2 O -2.5631 1.2224 -0.0173 O.2 1 UNL1 -0.3274 3 C 1.7009 0.2726 0.2370 C.3 2 UNL2 0.6324 4 O -2.3354 -1.1025 -0.0048 O.2 1 UNL1 -0.3174 5 F 2.8856 0.6838 -0.0899 F 2 UNL2 -0.3156 6 F 1.7131 -0.9948 -0.0345 F 2 UNL2 -0.3168 @BOND 1 5 3 1 2 6 3 1 3 2 1 2 4 1 4 2