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
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