PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-chloropropener
2344 2-Chloropropene (Geo)
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REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
2-Chloropropene
<C-Cl> <> <C=C-Cl> GR=WHSMC03
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.74400000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.32608223 +1 119.0000000 +1 0.0000000 +0 2 1 0
C 1.47428217 +1 112.4878722 +1 -179.9747757 +1 2 1 3
H 1.08011013 +1 123.3701072 +1 -179.9964106 +1 3 2 1
H 1.08113731 +1 124.4738370 +1 -179.9981689 +1 3 2 5
H 1.10437872 +1 111.9609730 +1 -59.2473604 +1 4 2 1
H 1.10419270 +1 111.9490539 +1 119.5500560 +1 4 2 7
H 1.10112335 +1 112.3717803 +1 120.2932233 +1 4 2 8