|
|
CHARGE=-1
HOCH3F TS 2
h=10.96+"HOCH3F comp2" hr=bh76
F 0.00000000 0 0.0000000 0 0.0000000 0 0 0 0
C 1.71244700 1 0.0000000 0 0.0000000 0 1 0 0
H 1.08596500 1 94.2947190 1 0.0000000 0 2 1 0
H 1.08452300 1 93.1989260 1 119.6157070 1 2 1 3
H 1.08452000 1 93.1962850 1 120.7679510 1 2 1 4
O 1.86606700 1 87.2491710 1 -179.2180980 1 2 5 1
H 0.91073300 1 110.2765570 1 -60.2573650 1 6 2 5