|
PM7 Methanol D=1.70 I=10.96 IR=LLNBS82 HR=C&P1970 H=-48.1 DR=NLM1967 O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.41404774 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.09826783 +1 103.7012189 +1 0.0000000 +0 2 1 0 H 1.09460918 +1 110.4444371 +1 118.2350613 +1 2 1 3 H 1.09461281 +1 110.4338562 +1 -118.2105448 +1 2 1 3 H 0.97797663 +1 110.0472084 +1 -179.9953836 +1 1 2 3