@MOLECULE 3,4,5-trifluorophenol 10 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 2.3330 0.0088 0.0023 F 1 UNL1 -0.0789 2 F 0.9355 2.3696 -0.0012 F 1 UNL1 -0.0785 3 F 0.9375 -2.3743 -0.0012 F 1 UNL1 -0.0774 4 O -3.1560 -0.0011 0.0014 O.2 1 UNL1 -0.2564 5 C -1.9458 -0.0009 0.0001 C.2 1 UNL1 0.3590 6 C -1.0555 -1.1312 -0.0005 C.3 1 UNL1 -0.0509 7 C -1.0517 1.1299 -0.0005 C.2 1 UNL1 -0.0717 8 C 1.0277 -0.0082 0.0003 C.2 1 UNL1 0.1059 9 C 0.2786 1.2298 -0.0005 C.2 1 UNL1 0.0841 10 C 0.2977 -1.2244 -0.0006 C.2 1 UNL1 0.0649 @BOND 1 2 9 1 2 3 10 1 3 10 6 1 4 10 8 2 5 6 5 1 6 7 9 2 7 7 5 1 8 9 8 1 9 5 4 2 10 8 1 1