12 WFHMO XYZ 2011.11.29 C 0.00000 1.39700 0.00000 C 1.20980 0.69850 0.00000 C 1.20980 -0.69850 0.00000 C 0.00000 -1.39700 0.00000 C -1.20980 -0.69850 0.00000 C -1.20980 0.69850 0.00000 H 0.00000 2.39700 0.00000 H 2.07590 1.19850 0.00000 H 2.07590 -1.19850 0.00000 H 0.00000 -2.39700 0.00000 H -2.07590 -1.19850 0.00000 H -2.07590 1.19850 0.00000 6 3 3 3 BENZOL R=1.397 0 0 1 6 0.00000 1.39700 0.00000 1 2 6 1.20980 0.69850 0.00000 1 3 6 1.20980 -0.69850 0.00000 1 4 6 0.00000 -1.39700 0.00000 1 5 6 -1.20980 -0.69850 0.00000 1 6 6 -1.20980 0.69850 0.00000 1 WFHMO 1 2.00000 2 0.4082 0.4082 0.4082 0.4082 0.4082 0.4082 WFHMO 2 1.00000 2 -0.5680 -0.3738 0.1942 0.5680 0.3738 -0.1942 WFHMO 3 1.00000 2 0.1037 -0.4400 -0.5437 -0.1037 0.4400 0.5437 WFHMO 4 -1.00000 0 -0.2888 -0.2885 0.5774 -0.2888 -0.2885 0.5774 WFHMO 5 -1.00000 0 0.4999 -0.5001 0.0001 0.4999 -0.5001 0.0001 WFHMO 6 -2.00000 0 -0.4082 0.4082 -0.4082 0.4082 -0.4082 0.4082