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

cobalt(i) bromide   4221 Cobalt(I) bromide

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    #  Species Formula
  4211 Manganese(I) bromideMnBr
  4212 Manganese(I) bromide (Geo)MnBr
  4213 Mn(CO)5BrC5O5MnBr
  4214 Iron(I) bromide (Geo)FeBr
  4215 Iron(I) bromideFeBr
  4216 FeC6Br (ALCFEA) (Geo)C6H5O3FeBr
  4217 FeC6Br (ALCFEA)C6H5O3FeBr
  4218 Fe(II)(H2O)5.BrH10O5FeBr
  4219 Fe(II)(H2O)5.Br (Geo)H10O5FeBr
  4220 Diaqua-bromo-(oxydiacetato-O,O',O )-iron(III) (Geo)C4H8O7FeBr
  4221 Cobalt(I) bromide CoBr
  4222 Cobalt(I) bromide (Geo)CoBr
  4223 Cobalt(III) oxide bromideOCoBr
  4224 Cobalt(III) oxide bromide (Geo)OCoBr
  4225 Co(III)N4BrO (BUKPIG) (Geo)C4H8N4O5CoBr
  4226 Co(III)N4BrO (BUKPIG)C4H8N4O5CoBr
  4227 Methyl cobalt oxide fluoride bromide (Geo)CH3OFCoBr
  4228 Cobalt PH2 NH2 S Br (Geo)H4NPSCoBr
  4229 Nickel(I) bromide (Geo)NiBr
  4230 Nickel(I) bromideNiBr
  4231 Methyl nickel(II) bromideCH3NiBr


ΔHf: 86.4 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: 3.7 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.: 5.0 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
Cobalt(I) bromide
 I=4.96 IR=PW91D D=3.65 DR=PW91D H=86.4 HR=PW91D
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.15098329 +1    0.0000000 +0    0.0000000 +0     1     0     0