Accuracy

benzoyl bromide   4137 Benzoyl bromide

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    #  Species Formula
  4127 Li(I)N3Br (JEPROL) (Geo)H15LiC15N3Br
  4128 Li(I)N3Br (JEPROL)H15LiC15N3Br
  4129 Li(I)N3Br (GAJYEV) (Geo)H27LiC21N3Br
  4130 Li(I)N3Br (GAJYEV)H27LiC21N3Br
  4131 (MeCN)7.Br(-)C14H21N7Br
  4132 Bromine oxideOBr
  4133 Hypobromous acidHOBr
  4134 Bromoketene (Geo)HC2OBr
  4135 Acetyl bromideC2H3OBr
  4136 Acetyl bromide (Geo)C2H3OBr
  4137 Benzoyl bromide C7H5OBr
  4138 BrNO (Geo)NOBr
  4139 Nitrosyl bromideNOBr
  4140 Li(I)O4Br (CESJUF) (Geo)H20LiC8O4Br
  4141 Li(I)O4Br (CESJUF)H20LiC8O4Br
  4142 Li(+)(H2O)5.BrH10LiO5Br
  4143 Li(+)(H2O)5.Br (Geo)H10LiO5Br
  4144 Bromine fluoride (Geo)FBr
  4145 Bromine fluorideFBr
  4146 Perbromyl fluoride (Geo)O3FBr
  4147 BromodifluoroboraneBF2Br


ΔHf: -11.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Benzoyl bromide
 H=-11.6 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.78004015 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39432158 +1   60.0494853 +1    0.0000000 +0     1     2     0
  C     1.39464208 +1   60.1961548 +1  179.7109641 +1     1     2     3
  C     1.39294454 +1  120.1307642 +1   -0.1801257 +1     3     1     2
  C     1.39176656 +1  119.9620101 +1   -0.2980957 +1     4     1     2
  H     1.09016209 +1  179.8034749 +1  -71.7621322 +1     1     2     3
  H     1.08932551 +1  120.0032144 +1  179.9893788 +1     3     1     2
  H     1.08922503 +1  120.0612695 +1  179.9047292 +1     4     1     2
  H     1.09177091 +1  119.6650510 +1  179.9773031 +1     5     3     1
  H     1.09208442 +1  120.2161828 +1 -179.3090576 +1     6     4     1
  C     1.46241545 +1  177.5523067 +1 -169.8930148 +1     2     1     3
  O     1.18552107 +1  128.7356506 +1 -136.6222551 +1    12     2     5
 Br     1.96892713 +1  115.0261852 +1   45.5000138 +1    12     2     5