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

manganese(i) bromide   4211 Manganese(I) bromide

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    #  Species Formula
  4201 Scandium F Cl Br (Geo)FClScBr
  4202 Titanium(I) bromide (Geo)TiBr
  4203 Titanium(I) bromideTiBr
  4204 Vanadium(I) bromideVBr
  4205 Vanadium(I) bromide (Geo)VBr
  4206 Vanadium(V) bromide dioxideO2VBr
  4207 Vanadium(V) bromide dioxide (Geo)O2VBr
  4208 V(IV)O5N (AVIDUE) (Geo)C9H10NO6VBr
  4209 Chromium(I) bromideCrBr
  4210 Chromium(I) bromide (Geo)CrBr
  4211 Manganese(I) bromide MnBr
  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) bromideCoBr


Dipole: 4.3 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.: 4.7 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
Manganese(I) bromide
 I=4.685 IR=PW91D D=4.294 DR=PW91D
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mn     2.32384240 +1    0.0000000 +0    0.0000000 +0     1     0     0