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

acetyl bromide   4137 Acetyl bromide

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    #  Species Formula
  4127 Cyanogen bromideCNBr
  4128 3-Bromo-3-methyldiazirineC2H3N2Br
  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 bromide C2H3OBr
  4138 Acetyl bromide (Geo)C2H3OBr
  4139 Benzoyl bromideC7H5OBr
  4140 BrNO (Geo)NOBr
  4141 Nitrosyl bromideNOBr
  4142 Li(I)O4Br (CESJUF) (Geo)H20LiC8O4Br
  4143 Li(I)O4Br (CESJUF)H20LiC8O4Br
  4144 Li(+)(H2O)5.BrH10LiO5Br
  4145 Li(+)(H2O)5.Br (Geo)H10LiO5Br
  4146 Bromine fluoride (Geo)FBr
  4147 Bromine fluorideFBr


ΔHf: -45.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.4 Debye,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 10.6 eV,     REF: J. C. Green, M. L. H. Green, P. J. Joachim, A. F. Orchard, D. W. Turner, Philos. Trans. R. Soc. London, Ser. A, 111, A268 (1970).
  
 NOINTER NOXYZ PM7
Acetyl bromide
 H=-45.6 HR=C&P1970 I=10.55 IR=GGJO1970 D=2.43 DR=CRC
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47495103 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10492515 +1  112.4357893 +1    0.0000000 +0     2     1     0
  H     1.10546860 +1  111.4132086 +1  120.0852356 +1     2     1     3
  H     1.10516600 +1  112.2726247 +1 -119.9411892 +1     2     1     3
 Br     1.97329364 +1  113.8748974 +1   59.1288102 +1     1     2     3
  O     1.18323025 +1  129.6533579 +1 -120.9499266 +1     1     2     3