Accuracy

3-bromopropene   4116 3-Bromopropene

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    #  Species Formula
  4106 Lithium bromide (Geo)LiBr
  4107 Lithium bromideLiBr
  4108 Beryllium bromideBeBr
  4109 Boron bromideBBr
  4110 BromomethaneCH3Br
  4111 Bromomethane (Geo)CH3Br
  4112 BromoacetyleneHC2Br
  4113 Bromoacetylene (Geo)HC2Br
  4114 BromoethyleneC2H3Br
  4115 BromoethaneC2H5Br
  4116 3-Bromopropene C3H5Br
  4117 1-BromopropaneC3H7Br
  4118 2-BromopropaneC3H7Br
  4119 BromobenzeneC6H5Br
  4120 1-BromonaphthaleneC10H7Br
  4121 2-BromonaphthaleneC10H7Br
  4122 1-Bromo-dodecaneC12H25Br
  4123 1-Bromo-hexadecaneC16H33Br
  4124 Cyanogen bromide (Geo)CNBr
  4125 Cyanogen bromideCNBr
  4126 3-Bromo-3-methyldiazirineC2H3N2Br


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
 
   6  1    7
   6  2    7