PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-bromopropene
4118 3-Bromopropene
(Previous)
(Back)
(Next)
ΔHf: 10.9 kcal/mol, REF: D. C. Frost, C. A. McDowell, D. A. Vroom, J. Chem. Phys., 46, 4255 (1967).
SYMMETRY PM7
3-Bromopropene
H=10.9 HR=FMV1967
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33124638 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.48494054 +1 127.5165060 +1 0.0000000 +0 2 1 0
XX 5.00000000 +0 127.6917036 +1 180.0000000 +0 3 2 1
Br 1.95850904 +1 115.1907068 +1 0.0000000 +0 3 2 1
H 1.10678480 +1 54.1440725 +1 90.0000000 +0 3 4 5
H 1.10678480 +0 54.1440725 +0 -90.0000000 +0 3 4 5
H 1.09665915 +1 120.5005415 +1 180.0000000 +0 2 1 3
H 1.08071678 +1 122.9094872 +1 180.0000000 +0 1 2 3
H 1.07925794 +1 125.2723255 +1 0.0000000 +0 1 2 3