Accuracy

copper(iii) oxide bromide   4237 Copper(III) oxide bromide

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    #  Species Formula
  4227 Nickel(I) bromide (Geo)NiBr
  4228 Nickel(I) bromideNiBr
  4229 Methyl nickel(II) bromideCH3NiBr
  4230 Methyl nickel(II) bromide (Geo)CH3NiBr
  4231 Nickel SH Br (Geo)HSNiBr
  4232 Nickel PH2 NH2 SH Br (Geo)H5NPSNiBr
  4233 Ni(II)S3N2Br(+) (BRUCUB) (Geo)C8H20N2S3NiBr
  4234 Ni(II)S3N2Br(+) (BRUCUB)C8H20N2S3NiBr
  4235 Copper(I) bromideCuBr
  4236 Copper(I) bromide (Geo)CuBr
  4237 Copper(III) oxide bromide OCuBr
  4238 Copper(III) oxide bromide (Geo)OCuBr
  4239 Cu(II)S3N2Br(+) (BRUCUA) (Geo)C8H20N2S3CuBr
  4240 Cu(II)S3N2Br(+) (BRUCUA)C8H20N2S3CuBr
  4241 Zn(II)N4Br(+) (DAEAZN) (Geo)C12H30N4ZnBr
  4242 Zn(II)N4Br(+) (DAEAZN)C12H30N4ZnBr
  4243 Gallium bromide (Geo)GaBr
  4244 Gallium bromideGaBr
  4245 Germanium bromideGeBr
  4246 BromogermaneH3GeBr
  4247 Bromogermane (Geo)H3GeBr


ΔHf: 53.4 kcal/mol,     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.
Dipole: 1.8 Debye,     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.
I.P.: 6.6 eV,     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.
  
 PULAY SHIFT=80 PM7
Copper(III) oxide bromide
 I=6.62 IR=PW91D D=1.81 DR=PW91D H=53.4 HR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.31588326 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.35138718 +1  190.2579156 +1  180.0000000 +0     1     2     0