PM7 Accuracy

2-bromonaphthalene   4134 2-Bromonaphthalene

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    #  Species Formula
  4124 Bromomethane (Geo)CH3Br
  4125 BromoacetyleneHC2Br
  4126 Bromoacetylene (Geo)HC2Br
  4127 BromoethyleneC2H3Br
  4128 BromoethaneC2H5Br
  4129 3-BromopropeneC3H5Br
  4130 1-BromopropaneC3H7Br
  4131 2-BromopropaneC3H7Br
  4132 BromobenzeneC6H5Br
  4133 1-BromonaphthaleneC10H7Br
  4134 2-Bromonaphthalene C10H7Br
  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
  4143 Li(I)N3Br (GAJYEV)H27LiC21N3Br
  4144 (MeCN)7.Br(-)C14H21N7Br


DHf: 42.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2-Bromonaphthalene
 H=41.97 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41244937  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.42221572  1  119.3643994  1    0.0000000  0     1     2     0
  C     1.37090553  1  120.2961304  1    0.0108863  1     3     1     2
  C     1.42220818  1  119.2280983  1    0.0122128  1     2     1     3
  C     1.41791370  1  120.3754193  1    0.0057423  1     4     3     1
  C     1.42332318  1  119.4244566  1  179.9865125  1     1     2     5
  C     1.36688169  1  119.0311968  1    0.0061732  1     7     1     2
  C     1.42312644  1  119.4396087  1 -179.9632320  1     2     1     3
  C     1.41271828  1  122.5015091  1    0.0153575  1     8     7     1
 Br     1.89908702  1  119.4211331  1 -179.9944975  1     8     7     1
  H     1.08899788  1  118.7665321  1  179.9999543  1     3     1     2
  H     1.08896504  1  120.8070079  1  179.9975620  1     4     3     1
  H     1.08882730  1  118.7328410  1  179.9955574  1     5     2     1
  H     1.08889847  1  118.8078456  1 -179.9986225  1     6     4     3
  H     1.09019369  1  118.5811783  1  179.9996469  1     7     1     2
  H     1.08982365  1  118.6814897  1 -179.9876812  1     9     2     1
  H     1.09028720  1  120.3293537  1 -179.9944152  1    10     8     7