1.000 1.000 1.000 90.000 90.000 90.000 1 1 0.100 0.300 # fluorophenyl Cs c 1 .00000 -1.61294 .00000 c 1 -1.20003 -.90199 .00000 c 1 -1.18751 .48167 .00000 c 1 .00000 1.17367 .00000 c 1 1.18751 .48167 .00000 c 1 1.20003 -.90199 .00000 h 1 -2.02929 -1.37546 -.02000 h 1 -2.00875 .95868 -.02000 h 1 2.00875 .95868 .02000 f 1 2.02929 -1.37546 .00000 h 1 .00000 2.11346 .02000 # cyclohexane: the carbon skeleton: is exactly D3d # cyclohexane: became planar D6h with DCM=0.55 !!!!! C1 2 1.28330 0.00000 0.00000 C2 2 0.77000 1.45190 0.00000 C3 2 -0.77000 1.45190 0.00000 C4 2 -1.28330 0.72590 1.25740 C5 2 -0.77000 -0.72600 1.25740 C6 2 0.77000 -0.72600 1.25740 H11 -2 2.28330 0.30001 -0.00002 H12 -2 0.94995 -0.37139 -0.51650 H21 -2 1.10334 1.92330 -0.51650 H22 -2 1.10334 1.92330 0.81650 H31 -2 -1.10334 0.98051 -0.81650 H32 -2 -1.10334 2.39471 0.00003 H41 -2 -2.28330 0.72591 1.25742 H42 -2 -0.94995 1.19729 2.07390 H51 -2 -1.10334 -1.19740 0.44090 H52 -2 -1.10334 -1.19740 2.07390 H61 -2 1.10334 -0.25461 2.07390 H62 -2 1.10334 -1.66881 1.25737