PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

bromomethane   4112 Bromomethane

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    #  Species Formula
  4102 Bromine, atomBr
  4103 Bromide, anionBr
  4104 Hydrogen bromide, cationHBr
  4105 Hydrogen bromide (Geo)HBr
  4106 Hydrogen bromideHBr
  4107 Helium bromide anion (Geo)HeBr
  4108 Lithium bromide (Geo)LiBr
  4109 Lithium bromideLiBr
  4110 Beryllium bromideBeBr
  4111 Boron bromideBBr
  4112 Bromomethane CH3Br
  4113 Bromomethane (Geo)CH3Br
  4114 BromoacetyleneHC2Br
  4115 Bromoacetylene (Geo)HC2Br
  4116 BromoethyleneC2H3Br
  4117 BromoethaneC2H5Br
  4118 3-BromopropeneC3H5Br
  4119 1-BromopropaneC3H7Br
  4120 2-BromopropaneC3H7Br
  4121 BromobenzeneC6H5Br
  4122 1-BromonaphthaleneC10H7Br


ΔHf: -9.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.8 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMM PM7
Bromomethane
 H=-9.1 HR=C&P1970 D=1.82 I=10.53 IR=LLNBS82 DR=NLM1967 S=58.89 CP=10.13
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.94042898 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09082279 +1  108.6850808 +1    0.0000000 +0     2     1     0
  H     1.09082279 +0  108.6850808 +0  120.0000000 +0     2     1     3
  H     1.09082279 +0  108.6850808 +0 -120.0000000 +1     2     1     3