PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch2chcnr
472 Acrylonitrile (Geo)
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REF: C. C. Costain, J. Chem. Phys., 29, 864 (1958).
PM7
Acrylonitrile
<C1-C2> <C2-C3> <C-C-C> <C-N> GR=CCC1958
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33900000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42600000 +1 122.6000000 +1 0.0000000 +0 2 1 0
N 1.16400000 +1 179.3545937 +1 180.0000000 +0 3 2 1
H 1.09722356 +1 122.7038024 +1 180.0000000 +0 2 1 3
H 1.08287946 +1 123.8843064 +1 0.0000000 +0 1 2 3
H 1.08280780 +1 123.0391083 +1 -180.0000000 +0 1 2 3