PM7 Accuracy

3-bromo-3-methyldiazirine   4139 3-Bromo-3-methyldiazirine

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    #  Species Formula
  4129 3-BromopropeneC3H5Br
  4130 1-BromopropaneC3H7Br
  4131 2-BromopropaneC3H7Br
  4132 BromobenzeneC6H5Br
  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-methyldiazirine C2H3N2Br
  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
  4145 Bromine oxideOBr
  4146 Hypobromous acidHOBr
  4147 Bromoketene (Geo)HC2OBr
  4148 Acetyl bromideC2H3OBr
  4149 Acetyl bromide (Geo)C2H3OBr


DHf: 69.6 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
3-Bromo-3-methyldiazirine
 H=69.6 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.24398321  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49250245  1   65.3453244  1    0.0000000  0     1     2     0
  C     1.48517773  1  122.7066349  1 -107.1689971  1     3     1     2
 Br     1.90982900  1  114.5460923  1  102.2313334  1     3     1     2
  H     1.10415826  1  111.9384750  1  152.0422117  1     4     3     1
  H     1.10334121  1  112.4003277  1   32.3077248  1     4     3     1
  H     1.10414934  1  111.8391356  1  -87.5243818  1     4     3     1