PM7 Accuracy

cyanogen bromide   4138 Cyanogen bromide

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    #  Species Formula
  4128 BromoethaneC2H5Br
  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 bromide CNBr
  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
  4145 Bromine oxideOBr
  4146 Hypobromous acidHOBr
  4147 Bromoketene (Geo)HC2OBr
  4148 Acetyl bromideC2H3OBr


DHf: 43.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Cyanogen bromide
 H=43.3 HR=C&P1970 S=59.34 CP=11.21
 Br     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.78241212  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.15245716  1  180.0000000  1    0.0000000  0     2     1     0