H2OO.mol 4 3 0 0 0 0 0 0 0 0 0 -0.0988 -0.1437 0.6190 O 0 0 0 0 0 0.8513 -0.1595 0.8690 H 0 0 0 0 0 -0.4551 0.7376 0.8679 H 0 0 0 0 0 0.0605 0.0883 -0.9225 O 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0