Accuracy

ch3brr   4111 Bromomethane (Geo)

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    #  Species Formula
  4101 Bromide, anionBr
  4102 Hydrogen bromide, cationHBr
  4103 Hydrogen bromide (Geo)HBr
  4104 Hydrogen bromideHBr
  4105 Helium bromide anion (Geo)HeBr
  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-BromopropeneC3H5Br
  4117 1-BromopropaneC3H7Br
  4118 2-BromopropaneC3H7Br
  4119 BromobenzeneC6H5Br
  4120 1-BromonaphthaleneC10H7Br
  4121 2-BromonaphthaleneC10H7Br


REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
  
 SYMMETRY PM7
Bromomethane
 GR=CHKL1976 <C-Br> <C-H> <H-C-Br>
 
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.93300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.08600000 +1  107.7100000 +1    0.0000000 +0     2     1     0
  H     1.08600000 +0  107.7100000 +0  120.0000000 +0     2     1     3
  H     1.08600000 +0  107.7100000 +0 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5