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

1,4-dibromobutane   4274 1,4-Dibromobutane

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    #  Species Formula
  4264 Bromine (Geo)Br2
  4265 BromineBr2
  4266 Lithium bromide, dimer (Geo)Li2Br2
  4267 Lithium bromide, dimerLi2Br2
  4268 Beryllium dibromide (Geo)BeBr2
  4269 Beryllium dibromideBeBr2
  4270 Dibromoborane (1)HBBr2
  4271 Dibromomethane (Geo)CH2Br2
  4272 DibromomethaneCH2Br2
  4273 1,1-DibromoethaneC2H4Br2
  4274 1,4-Dibromobutane C4H8Br2
  4275 Li(I)2Br2N4 (SAJVEE01) (Geo)C12H32Li2N4Br2
  4276 Li(I)2Br2N4 (SAJVEE01)C12H32Li2N4Br2
  4277 Carbonyl bromideCOBr2
  4278 Carbonyl bromide (Geo)COBr2
  4279 1,2-Dibromocyclobutene-3,4-dione (Geo)C4O2Br2
  4280 Be(II)O2Br2 (QQQDPY01) (Geo)H20BeC8O2Br2
  4281 Be(II)O2Br2 (QQQDPY01)H20BeC8O2Br2
  4282 Li(I)2Br2O4 (DECXEO01) (Geo)C12H24Li2O4Br2
  4283 Li(I)2Br2O4 (DECXEO01)C12H24Li2O4Br2
  4284 DibromofluoroboraneBFBr2


ΔHf: -20.5 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
1,4-Dibromobutane
 H=-20.55 HR=NIST
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.96078440 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51939295 +1  110.3589825 +1    0.0000000 +0     2     1     0
  C     1.53826562 +1  109.5984027 +1  179.9599640 +1     3     2     1
  C     1.51900669 +1  109.5053166 +1  179.9742363 +1     4     3     2
 Br     1.96056422 +1  110.3894402 +1  179.9495979 +1     5     4     3
  H     1.10086865 +1  106.2515149 +1 -122.0741865 +1     2     1     3
  H     1.10087386 +1  106.2590510 +1  122.0927603 +1     2     1     3
  H     1.10948785 +1  110.8547770 +1   58.4423021 +1     3     2     1
  H     1.10946690 +1  110.8428751 +1  -58.5449051 +1     3     2     1
  H     1.10940759 +1  109.8700218 +1   57.8953070 +1     4     3     2
  H     1.10941220 +1  109.8760547 +1  -57.9306174 +1     4     3     2
  H     1.10104995 +1  112.3685785 +1   61.4838048 +1     5     4     3
  H     1.10103705 +1  112.3583481 +1  -61.5971420 +1     5     4     3