PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
but1ener
125 1-Butene (Geo)
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REF: A. Almenningen, I. M. Anfinsen, A. Haaland, Acta Chem. Scand., 24, 43 (1970).
SYMMETRY PM7
1-Butene
<C2-C3> GR=AAH1970 <C1-C2> <C-C-C>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.34700000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.50800000 +1 123.8000000 +1 0.0000000 +0 2 1 0
C 1.52776166 +1 112.0208081 +1 180.0000000 +0 3 2 1
H 1.07557401 +1 123.7150732 +1 0.0000000 +0 1 2 3
H 1.07575619 +1 123.1282365 +1 180.0000000 +0 1 2 3
H 1.08754748 +1 121.1519007 +1 180.0000000 +0 2 1 3
XX 1.00000000 +0 123.6226009 +1 0.0000000 +0 3 2 1
H 1.10961598 +1 52.7451577 +1 90.0000000 +0 3 8 2
H 1.10961598 +0 52.7451577 +0 -90.0000000 +0 3 8 2
H 1.09596484 +1 111.2208824 +1 180.0000000 +0 4 3 2
XX 1.00000000 +0 128.3170768 +1 0.0000000 +0 4 3 2
H 1.09620723 +1 53.7919036 +1 90.0000000 +0 4 12 3
H 1.09620723 +0 53.7919036 +0 -90.0000000 +0 4 12 3