16 WFHMO XYZ 2011.11.29 C -0.17350 -3.63860 -1.44860 C 0.34650 -2.44060 -0.91160 C -0.40270 -1.25910 -0.72010 H 1.39950 -2.42530 -0.62900 C 0.09240 -0.08380 -0.21360 C 0.54530 -4.78860 -1.65720 N 0.00790 -6.00390 -2.08720 N -0.67020 1.04920 0.07710 H 1.13820 -0.00730 0.07470 H 1.60280 -4.83060 -1.40640 H 0.63200 -6.57160 -2.64690 H -0.90600 -5.93120 -2.51850 H -0.18570 1.93060 -0.04110 H -1.57910 1.06960 -0.36950 H -1.23280 -3.65000 -1.71640 H -1.46000 -1.28650 -0.99440 7 4 4 3 MOLECULE CHARGE=1 1 0 1 6 -0.17350 -3.63860 -1.44860 1 2 6 0.34650 -2.44060 -0.91160 1 3 6 -0.40270 -1.25910 -0.72010 1 4 6 0.09240 -0.08380 -0.21360 1 5 6 0.54530 -4.78860 -1.65720 1 6 7 0.00790 -6.00390 -2.08720 2 7 7 -0.67020 1.04920 0.07710 2 WFHMO 1 2.06157 2 0.3285 0.3186 0.3285 0.3585 0.3585 0.4613 0.4613 WFHMO 2 1.93069 2 -0.1882 0.0000 0.1882 0.3633 -0.3633 -0.5767 0.5767 WFHMO 3 1.39666 2 0.3825 0.5478 0.3825 -0.0135 -0.0135 -0.4510 -0.4510 WFHMO 4 0.60745 2 -0.5169 0.0000 0.5169 0.3140 -0.3140 0.3664 -0.3664 WFHMO 5 -0.30928 0 0.0842 -0.5447 0.0842 0.5186 0.5186 -0.2749 -0.2749 WFHMO 6 -1.16814 0 0.4443 0.0000 -0.4443 0.5191 -0.5191 0.1820 -0.1820 WFHMO 7 -1.77896 0 -0.4885 0.5493 -0.4885 0.3199 0.3199 -0.0904 -0.0904