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

silver(i) bromide   5329 Silver bromide

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    #  Species Formula
  5319 Silver chlorideClAg
  5320 Silver(I) chlorideClAg
  5321 Methyl silver(I) chloride (Geo)CH3ClAg
  5322 Aqua-(4-chlorobenzoato-O)-silver(i) (Geo)C7H6O3ClAg
  5323 Chloro-(1-thia-4,7-diazacyclononane-S,N,N')-silver(i) (Geo)C6H14N2SClAg
  5324 Ag(I)S2O (CIJBIG) (Geo)C8H16O6S2ClAg
  5325 Ag(I)SSO (CIJBIG) (Geo)C8H16O6S2ClAg
  5326 Ag(I)S3Cl (JAVWIM) (Geo)C6H12S3ClAg
  5327 Ag(I)S3Cl (CMURAG) (Geo)C6H18N6S3ClAg
  5328 Silver(I) bromide (Geo)BrAg
  5329 Silver bromide BrAg
  5330 Dibromoargentate(i) (Geo)Br2Ag
  5331 Ag2 (Geo)Ag2
  5332 Silver, dimerAg2
  5333 bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB) (Geo)C2H4N6O4Ag2
  5334 Ag(i)O3(++) (CADXOU) (Geo)C6H12O6Ag2
  5335 bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01) (Geo)C4O4F6Ag2
  5336 Cadmium, cationCd
  5337 Cadmium 1P(u) 5s(1)5p(1)Cd
  5338 Cadmium 3P(u) 5s(1)5p(1)Cd
  5339 Cadmium, atomCd


ΔHf: 25.0 kcal/mol,     REF: S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, and W. G. Mallard, "Gas Phase Ion and Neutral Thermochemistry", J. Phys. Chem., i Ref. Data, Suppl. 1, 17 (1988).
Dipole: 5.8 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.: 5.8 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.
  
 SHIFT=80 PM7
Silver bromide
 H=25.0 HR=LBLHLM88 I=5.79 IR=PW91D D=5.82 DR=PW91D
 Ag     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.34688858 +1    0.0000000 +0    0.0000000 +0     1     0     0