TITLE M062X/6-311+G(2d,p) opted REMARK 1 File created by GaussView 5.0.8 HETATM 1 C 0 -3.573 -1.462 -0.049 C HETATM 2 C 0 -3.941 -0.068 0.421 C HETATM 3 C 0 -3.162 0.963 -0.391 C HETATM 4 C 0 -1.675 0.719 -0.274 C HETATM 5 C 0 -1.200 -0.595 -0.308 C HETATM 6 C 0 -2.178 -1.711 -0.434 C HETATM 7 C 0 -0.794 1.781 -0.150 C HETATM 8 C 0 0.581 1.561 -0.072 C HETATM 9 C 0 1.075 0.234 -0.100 C HETATM 10 C 0 0.174 -0.854 -0.208 C HETATM 11 C 0 2.477 -0.002 -0.010 C HETATM 12 C 0 2.975 -1.328 -0.021 C HETATM 13 C 0 2.037 -2.413 -0.108 C HETATM 14 C 0 0.708 -2.191 -0.192 C HETATM 15 C 0 1.516 2.648 0.040 C HETATM 16 C 0 2.844 2.423 0.114 C HETATM 17 C 0 3.376 1.088 0.093 C HETATM 18 C 0 4.746 0.833 0.175 C HETATM 19 C 0 5.227 -0.468 0.160 C HETATM 20 C 0 4.352 -1.540 0.065 C HETATM 21 O 0 -2.727 -2.227 0.785 O HETATM 22 O 0 -5.332 0.196 0.335 O HETATM 23 O 0 -3.472 2.270 0.027 O HETATM 24 H 0 -3.451 0.835 -1.448 H HETATM 25 H 0 -3.680 0.038 1.475 H HETATM 26 H 0 -4.371 -2.026 -0.528 H HETATM 27 H 0 -1.971 -2.476 -1.175 H HETATM 28 H 0 0.025 -3.030 -0.228 H HETATM 29 H 0 2.423 -3.426 -0.093 H HETATM 30 H 0 4.731 -2.555 0.058 H HETATM 31 H 0 6.292 -0.648 0.225 H HETATM 32 H 0 5.434 1.667 0.253 H HETATM 33 H 0 3.540 3.251 0.196 H HETATM 34 H 0 1.124 3.658 0.061 H HETATM 35 H 0 -1.183 2.791 -0.114 H HETATM 36 H 0 -5.636 0.001 -0.558 H HETATM 37 H 0 -4.421 2.294 0.199 H END CONECT 1 2 6 21 26 CONECT 2 1 3 22 25 CONECT 3 2 4 23 24 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 1 5 21 27 CONECT 7 4 8 35 CONECT 8 7 9 15 CONECT 9 8 10 11 CONECT 10 5 9 14 CONECT 11 9 12 17 CONECT 12 11 13 20 CONECT 13 12 14 29 CONECT 14 10 13 28 CONECT 15 8 16 34 CONECT 16 15 17 33 CONECT 17 11 16 18 CONECT 18 17 19 32 CONECT 19 18 20 31 CONECT 20 12 19 30 CONECT 21 1 6 CONECT 22 2 36 CONECT 23 3 37 CONECT 24 3 CONECT 25 2 CONECT 26 1 CONECT 27 6 CONECT 28 14 CONECT 29 13 CONECT 30 20 CONECT 31 19 CONECT 32 18 CONECT 33 16 CONECT 34 15 CONECT 35 7 CONECT 36 22 CONECT 37 23