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

3-bromo-3-methyldiazirine   4128 3-Bromo-3-methyldiazirine

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    #  Species Formula
  4118 3-BromopropeneC3H5Br
  4119 1-BromopropaneC3H7Br
  4120 2-BromopropaneC3H7Br
  4121 BromobenzeneC6H5Br
  4122 1-BromonaphthaleneC10H7Br
  4123 2-BromonaphthaleneC10H7Br
  4124 1-Bromo-dodecaneC12H25Br
  4125 1-Bromo-hexadecaneC16H33Br
  4126 Cyanogen bromide (Geo)CNBr
  4127 Cyanogen bromideCNBr
  4128 3-Bromo-3-methyldiazirine C2H3N2Br
  4129 Li(I)N3Br (JEPROL) (Geo)H15LiC15N3Br
  4130 Li(I)N3Br (JEPROL)H15LiC15N3Br
  4131 Li(I)N3Br (GAJYEV) (Geo)H27LiC21N3Br
  4132 Li(I)N3Br (GAJYEV)H27LiC21N3Br
  4133 (MeCN)7.Br(-)C14H21N7Br
  4134 Bromine oxideOBr
  4135 Hypobromous acidHOBr
  4136 Bromoketene (Geo)HC2OBr
  4137 Acetyl bromideC2H3OBr
  4138 Acetyl bromide (Geo)C2H3OBr


ΔHf: 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