PM7 Accuracy

1-bromonaphthalene   4133 1-Bromonaphthalene

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    #  Species Formula
  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 BromobenzeneC6H5Br
  4133 1-Bromonaphthalene C10H7Br
  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
  4143 Li(I)N3Br (GAJYEV)H27LiC21N3Br


DHf: 41.7 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
1-Bromonaphthalene
 H=41.66 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41647322  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.42213314  1  118.5736802  1    0.0000000  0     1     2     0
  C     1.37149471  1  120.7380918  1   -0.0057594  1     3     1     2
  C     1.42220576  1  119.5938651  1   -0.0036488  1     2     1     3
  C     1.41623145  1  120.5387310  1   -0.0010198  1     4     3     1
  C     1.42016921  1  117.2160102  1  179.9988696  1     1     2     5
  C     1.36854736  1  122.5909042  1    0.0054848  1     7     1     2
  C     1.42281014  1  119.9877888  1  179.9925528  1     2     1     3
  C     1.41698244  1  119.3943183  1   -0.0033234  1     8     7     1
 Br     1.90245753  1  120.1814244  1 -179.9942020  1     7     1     2
  H     1.09007612  1  119.7475320  1 -179.9971520  1     3     1     2
  H     1.08940295  1  120.6011322  1 -179.9995804  1     4     3     1
  H     1.08901636  1  118.6289071  1 -179.9941429  1     5     2     1
  H     1.08892417  1  118.9916086  1 -179.9969783  1     6     4     3
  H     1.09093358  1  122.1735338  1  179.9966581  1     8     7     1
  H     1.08968718  1  118.5869065  1  179.9995811  1     9     2     1
  H     1.08934842  1  118.7537819  1  179.9978237  1    10     8     7