PM7 Accuracy

bromobenzene   4132 Bromobenzene

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    #  Species Formula
  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-BromopropaneC3H7Br
  4132 Bromobenzene C6H5Br
  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
  4142 Li(I)N3Br (GAJYEV) (Geo)H27LiC21N3Br


DHf: 25.2 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.7 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.2 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.
  
 PM7
Bromobenzene
 H=25.2 HR=C&P1970 I=9.25 IR=LLNBS82 D=1.7 DR=NLM1967
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.38952033  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38959645  1  122.1602741  1    0.0000000  0     2     1     0
  C     1.39468204  1  118.6058098  1    0.0000000  0     3     2     1
  C     1.39437990  1  120.2145346  1    0.0000000  0     4     3     2
  C     1.39426701  1  120.1963911  1    0.0000000  0     5     4     3
  H     1.08965359  1  119.9170218  1  180.0000000  0     1     6     5
  H     1.08900388  1  119.9113298  1  180.0000000  0     5     6     1
 Br     1.89948115  1  118.9191926  1  180.0000000  0     2     1     6
  H     1.08922682  1  119.7386301  1  180.0000000  0     6     1     2
  H     1.08969754  1  121.4577595  1  180.0000000  0     3     2     1
  H     1.08920690  1  119.7539377  1  180.0000000  0     4     3     2