PM7 Bromoacetylene D=0.0 DR=S1978 S=60.63 CP=13.31 H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.03025796 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.20949004 +1 180.0000000 +0 0.0000000 +0 2 1 0 Br 1.76817858 +1 180.0000000 +0 0.0000000 +0 3 2 1