PM7 Accuracy

2-bromopropane   4131 2-Bromopropane

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    #  Species Formula
  4121 Beryllium bromideBeBr
  4122 Boron bromideBBr
  4123 BromomethaneCH3Br
  4124 Bromomethane (Geo)CH3Br
  4125 BromoacetyleneHC2Br
  4126 Bromoacetylene (Geo)HC2Br
  4127 BromoethyleneC2H3Br
  4128 BromoethaneC2H5Br
  4129 3-BromopropeneC3H5Br
  4130 1-BromopropaneC3H7Br
  4131 2-Bromopropane C3H7Br
  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
  4140 Li(I)N3Br (JEPROL) (Geo)H15LiC15N3Br
  4141 Li(I)N3Br (JEPROL)H15LiC15N3Br


DHf: -23.5 kcal/mol,     REF: Natl. Bur. Stand. Selected Values of Chemical and Thermodynamic Properties, Rossini, 1st Feb. (1952).
  
 PM7
2-Bromopropane
 H=-23.5 HR=NBS1952
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51468243  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.51429038  1  112.8668341  1    0.0000000  0     1     2     0
  H     1.11096124  1  111.3072716  1 -126.3311522  1     1     2     3
 Br     1.99136037  1  108.5057137  1  120.2991718  1     1     2     3
  H     1.09904008  1  112.3858532  1 -179.1198433  1     2     1     3
  H     1.09905998  1  112.3961567  1  179.1146348  1     3     1     2
  H     1.09914311  1  112.4755104  1  -58.1873032  1     2     1     3
  H     1.09915423  1  110.8834927  1   61.3213113  1     2     1     3
  H     1.09915440  1  112.4670591  1   58.1696576  1     3     1     2
  H     1.09919971  1  110.8871113  1  -61.3395025  1     3     1     2