Gaussian 0 1 C 0 0.492966 -0.637909 -1.242249 C 0 1.358383 -1.378525 -0.257492 O 0 1.089462 -2.447418 0.247467 O 0 2.495392 -0.719116 0.050400 C 0 -0.395691 0.439102 -0.543915 N 0 -0.254272 -1.626785 -1.983032 C 0 0.412200 1.629303 -0.010422 C 0 -1.305115 -0.152924 0.539185 H 0 1.160675 -0.119095 -1.917984 H 0 3.043961 -1.175949 0.684540 H 0 -1.032135 0.809174 -1.345276 H 0 -0.856003 -1.301224 -2.701600 H 0 -0.556320 -2.435547 -1.492096 H 0 -0.258881 2.416382 0.315079 H 0 1.063278 2.040680 -0.773621 H 0 1.031281 1.349716 0.832397 H 0 -2.007629 0.596130 0.887360 H 0 -0.735870 -0.493439 1.397049 H 0 -1.875229 -0.993240 0.163712 MOPAC C 0.000000 0 0.000000 0 0.000000 0 0 0 0 C 1.505722 1 0.000000 0 0.000000 0 1 0 0 O 1.212372 1 125.350250 1 0.000000 0 2 1 0 O 1.349960 1 113.140274 1 181.141281 1 2 1 3 C 1.561203 1 111.960022 1 96.018692 1 1 2 3 N 1.443954 1 107.223251 1 330.227814 1 1 2 3 C 1.534241 1 113.016129 1 69.804749 1 5 1 2 C 1.533188 1 112.783569 1 302.212891 1 5 1 2 H 1.082413 1 106.828094 1 213.377151 1 1 2 3 H 0.954865 1 113.682312 1 179.105255 1 4 2 1 H 1.088211 1 103.775162 1 185.907776 1 5 1 2 H 0.992172 1 117.431168 1 182.050522 1 6 1 2 H 0.993149 1 117.481873 1 35.982971 1 6 1 2 H 1.084335 1 109.973694 1 170.729797 1 7 5 1 H 1.084259 1 111.454697 1 51.100739 1 7 5 1 H 1.082489 1 111.809647 1 290.602661 1 7 5 1 H 1.084366 1 110.143295 1 188.715912 1 8 5 1 H 1.084396 1 111.638290 1 69.198013 1 8 5 1 H 1.082657 1 111.533371 1 308.423660 1 8 5 1