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

cuobrr   4240 Copper(III) oxide bromide (Geo)

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    #  Species Formula
  4230 Nickel(I) bromideNiBr
  4231 Methyl nickel(II) bromideCH3NiBr
  4232 Methyl nickel(II) bromide (Geo)CH3NiBr
  4233 Nickel SH Br (Geo)HSNiBr
  4234 Nickel PH2 NH2 SH Br (Geo)H5NPSNiBr
  4235 Ni(II)S3N2Br(+) (BRUCUB) (Geo)C8H20N2S3NiBr
  4236 Ni(II)S3N2Br(+) (BRUCUB)C8H20N2S3NiBr
  4237 Copper(I) bromideCuBr
  4238 Copper(I) bromide (Geo)CuBr
  4239 Copper(III) oxide bromideOCuBr
  4240 Copper(III) oxide bromide (Geo) OCuBr
  4241 Cu(II)S3N2Br(+) (BRUCUA) (Geo)C8H20N2S3CuBr
  4242 Cu(II)S3N2Br(+) (BRUCUA)C8H20N2S3CuBr
  4243 Zn(II)N4Br(+) (DAEAZN) (Geo)C12H30N4ZnBr
  4244 Zn(II)N4Br(+) (DAEAZN)C12H30N4ZnBr
  4245 Gallium bromide (Geo)GaBr
  4246 Gallium bromideGaBr
  4247 Germanium bromideGeBr
  4248 BromogermaneH3GeBr
  4249 Bromogermane (Geo)H3GeBr
  4250 Bromotrimethylgermane (Geo)C3H9GeBr


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.
  
 PM7
Copper(III) oxide bromide
 <Cu=O> <Cu-Br> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.69834000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.20759700 +1   55.9218620 +1    0.0000000 +0     1     2     0