PM3 PRECISE XYZ C -0.114 1 0.242 1 -0.396 1 H -0.633 1 1.2 1 -0.448 1 H -0.176 1 -0.254 1 -1.366 1 H -0.591 1 -0.385 1 0.36 1 C 1.363 1 0.471 1 -0.024 1 O 2.293 1 -0.698 1 0.111 1 C 1.885 1 1.901 1 0.21 1 H 2.946 1 1.868 1 0.463 1 H 1.748 1 2.495 1 -0.695 1 H 1.334 1 2.364 1 1.031 1 Bond info. 1 2 1 1 3 1 1 4 1 1 5 1 5 6 2 5 7 1 7 8 1 7 9 1 7 10 1