PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cf2cch2r
1503 Fluoroallene (Geo)
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REF: T. Ogata, K. Fujii, M. Yoshikawa, F. Hirota, J. Am. Chem. Soc., 109, 7639 (1987).
SYMMETRY PM7
Fluoroallene
GR=OFYH1987 <C1-C2> <C1-H> <H-C1-C2> <C1-F> <F-C1-C2> <C2-C3> <C3-H> <H-C3-C2>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.30100000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.08300000 +1 124.3000000 +1 0.0000000 +0 2 1 0
F 1.36000000 +1 121.9000000 +1 180.0000000 +0 2 1 3
XX 5.00000000 +0 90.0000000 +0 0.0000000 +0 1 2 3
C 1.30900000 +1 90.0000000 +0 180.0000000 +0 1 5 2
H 1.08600000 +1 120.8000000 +1 90.0000000 +0 6 1 5
H 1.08600000 +0 120.8000000 +0 -90.0000000 +0 6 1 5