PM7 Accuracy

carbonyl bromide   4288 Carbonyl bromide

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    #  Species Formula
  4278 Lithium bromide, dimerLi2Br2
  4279 Beryllium dibromide (Geo)BeBr2
  4280 Beryllium dibromideBeBr2
  4281 Dibromoborane (1)HBBr2
  4282 Dibromomethane (Geo)CH2Br2
  4283 DibromomethaneCH2Br2
  4284 1,1-DibromoethaneC2H4Br2
  4285 1,4-DibromobutaneC4H8Br2
  4286 Li(I)2Br2N4 (SAJVEE01) (Geo)C12H32Li2N4Br2
  4287 Li(I)2Br2N4 (SAJVEE01)C12H32Li2N4Br2
  4288 Carbonyl bromide COBr2
  4289 Carbonyl bromide (Geo)COBr2
  4290 1,2-Dibromocyclobutene-3,4-dione (Geo)C4O2Br2
  4291 Be(II)O2Br2 (QQQDPY01) (Geo)H20BeC8O2Br2
  4292 Be(II)O2Br2 (QQQDPY01)H20BeC8O2Br2
  4293 Li(I)2Br2O4 (DECXEO01) (Geo)C12H24Li2O4Br2
  4294 Li(I)2Br2O4 (DECXEO01)C12H24Li2O4Br2
  4295 DibromofluoroboraneBFBr2
  4296 DifluorodibromomethaneCF2Br2
  4297 1,2-DibromotetrafluoroethaneC2F4Br2
  4298 Sodium bromide, dimer (Geo)Na2Br2


DHf: -20.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
Carbonyl bromide
 H=-20.1 HR=C&P1970
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.17612685  1    0.0000000  0    0.0000000  0     1     0     0
 Br     1.91796243  1  122.1004005  1    0.0000000  0     2     1     0
 Br     1.91796243  1  122.1004005  1  180.0000000  1     2     1     3
 
   3  1    4
   3  2    4