Accuracy

li2br2r   4264 Lithium bromide, dimer (Geo)

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    #  Species Formula
  4254 GeC2S2Br (KADKOP) (Geo)C5H12NS2GeBr
  4255 GeC2S2Br (KADKOP)C5H12NS2GeBr
  4256 As(III)C2Br (BROPAR) (Geo)C12H10AsBr
  4257 As(III)C2Br (BROPAR)C12H10AsBr
  4258 As(III)BrS2(+) (EDTCAS) (Geo)C5H10NS2AsBr
  4259 As(III)BrS2(+) (EDTCAS)C5H10NS2AsBr
  4260 Et3SeBrC6H15SeBr
  4261 Bromine, cation (Br2(+))Br2
  4262 Bromine (Geo)Br2
  4263 BromineBr2
  4264 Lithium bromide, dimer (Geo) Li2Br2
  4265 Lithium bromide, dimerLi2Br2
  4266 Beryllium dibromide (Geo)BeBr2
  4267 Beryllium dibromideBeBr2
  4268 Dibromoborane (1)HBBr2
  4269 Dibromomethane (Geo)CH2Br2
  4270 DibromomethaneCH2Br2
  4271 1,1-DibromoethaneC2H4Br2
  4272 1,4-DibromobutaneC4H8Br2
  4273 Li(I)2Br2N4 (SAJVEE01) (Geo)C12H32Li2N4Br2
  4274 Li(I)2Br2N4 (SAJVEE01)C12H32Li2N4Br2


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 SYMMETRY GEO-OK PM7
Lithium bromide, dimer
 <Li-Br> <Li-Br-Li> GR=PW91D
 
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     2.44479100 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.44479100 +0  109.9841920 +1    0.0000000 +0     2     1     0
 Li     2.44479100 +0   72.9026508 +1    0.0000055 +1     3     2     1
 
   2  1    3    4