Accuracy

nickel(i) bromide   4228 Nickel(I) bromide

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    #  Species Formula
  4218 Diaqua-bromo-(oxydiacetato-O,O',O )-iron(III) (Geo)C4H8O7FeBr
  4219 Cobalt(I) bromideCoBr
  4220 Cobalt(I) bromide (Geo)CoBr
  4221 Cobalt(III) oxide bromideOCoBr
  4222 Cobalt(III) oxide bromide (Geo)OCoBr
  4223 Co(III)N4BrO (BUKPIG) (Geo)C4H8N4O5CoBr
  4224 Co(III)N4BrO (BUKPIG)C4H8N4O5CoBr
  4225 Methyl cobalt oxide fluoride bromide (Geo)CH3OFCoBr
  4226 Cobalt PH2 NH2 S Br (Geo)H4NPSCoBr
  4227 Nickel(I) bromide (Geo)NiBr
  4228 Nickel(I) bromide NiBr
  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 bromideOCuBr
  4238 Copper(III) oxide bromide (Geo)OCuBr


Dipole: 3.9 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.: 5.4 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.
  
 PM7
Nickel(I) bromide
 I=5.37 IR=PW91D D=3.90 DR=PW91D
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.20688121 +1    0.0000000 +0    0.0000000 +0     1     0     0