PM3 PRECISE XYZ C 0.055 1 -0.085 1 0.138 1 H -0.547 1 0.767 1 0.459 1 H -0.374 1 -0.504 1 -0.774 1 H 0.049 1 -0.846 1 0.921 1 O 1.463 1 0.36 1 -0.124 1 H 1.469 1 1.126 1 -0.913 1 Bond info. 1 2 1 1 3 1 1 4 1 1 5 1 5 6 1