PM7 Accuracy

3-bromopropene   4129 3-Bromopropene

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    #  Species Formula
  4119 Lithium bromide (Geo)LiBr
  4120 Lithium bromideLiBr
  4121 Beryllium bromideBeBr
  4122 Boron bromideBBr
  4123 BromomethaneCH3Br
  4124 Bromomethane (Geo)CH3Br
  4125 BromoacetyleneHC2Br
  4126 Bromoacetylene (Geo)HC2Br
  4127 BromoethyleneC2H3Br
  4128 BromoethaneC2H5Br
  4129 3-Bromopropene C3H5Br
  4130 1-BromopropaneC3H7Br
  4131 2-BromopropaneC3H7Br
  4132 BromobenzeneC6H5Br
  4133 1-BromonaphthaleneC10H7Br
  4134 2-BromonaphthaleneC10H7Br
  4135 1-Bromo-dodecaneC12H25Br
  4136 1-Bromo-hexadecaneC16H33Br
  4137 Cyanogen bromide (Geo)CNBr
  4138 Cyanogen bromideCNBr
  4139 3-Bromo-3-methyldiazirineC2H3N2Br


DHf: 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