PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c2h3fr
1499 Fluoroethylene (Geo)
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REF: J. L. Carlos, R. R. Karl, S. H. Bauer, J. Chem. Soc., Faraday Trans. 2, 177 (1974).
PM7
Fluoroethylene
GR=CKB1974 <C-C> <C-H(g)> <C-C-H(g)> <C-H(t)> <C-C-H(t)> <C-H(c)> <C-C-H(c)>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.07600000 +1 127.7000000 +1 0.0000000 +0 2 1 0
H 1.08500000 +1 123.9000000 +1 0.0000000 +0 1 2 3
H 1.09000000 +1 121.4000000 +1 180.0000000 +0 1 2 3
F 1.33048632 +1 119.5114789 +1 0.0000000 +0 2 1 5