#ZMATRIX -- simple CO2 example, with bond order indicated C O 1 1.3000 2 O 1 1.3000 2 180 2 #C #H 1 1.089000 #H 1 1.089000 2 109.4710 #H 1 1.089000 2 109.4710 3 120.0000 #H 1 1.089000 2 109.4710 3 -120.0000 #XX #C 1 1.5 #N 2 1.5 1 100 #F 3 1.5 2 100 1 90