PM7 Accuracy

1,4-dibromobutane   4285 1,4-Dibromobutane

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    #  Species Formula
  4275 Bromine (Geo)Br2
  4276 BromineBr2
  4277 Lithium bromide, dimer (Geo)Li2Br2
  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-Dibromobutane C4H8Br2
  4286 Li(I)2Br2N4 (SAJVEE01) (Geo)C12H32Li2N4Br2
  4287 Li(I)2Br2N4 (SAJVEE01)C12H32Li2N4Br2
  4288 Carbonyl bromideCOBr2
  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


DHf: -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