Accuracy

Pd(II)(CO)Br3(-) (KATPIE)   5266 Pd(II)(CO)Br3(-) (KATPIE)

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    #  Species Formula
  5256 Pd(IV)N2Cl4 (BOKHAK) (Geo)C10H8N2Cl4Pd
  5257 Pd(IV)N2Cl4 (BOKHAK)C10H8N2Cl4Pd
  5258 Pd(IV)Cl6(2-) (JIZLOT) (Geo)Cl6Pd
  5259 Pd(IV)Cl6(2-) (JIZLOT)Cl6Pd
  5260 Palladium(II) dibromideBr2Pd
  5261 Palladium(II) dibromide (Geo)Br2Pd
  5262 Pd(II)Br2N2 (MACGON) (Geo)C10H9N3Br2Pd
  5263 PdC2Br2 (AMIPER) (Geo)C9H12N4Br2Pd
  5264 PdC2Br2 (AMIPER)C9H12N4Br2Pd
  5265 Pd(II)(CO)Br3(-) (KATPIE) (Geo)COBr3Pd
  5266 Pd(II)(CO)Br3(-) (KATPIE) COBr3Pd
  5267 Palladium tetrabromide (Geo)Br4Pd
  5268 Palladium(II) tetrabromideBr4Pd
  5269 Pd(II)Br4(2-) (FETHOB) (Geo)Br4Pd
  5270 Pd(II)Br4(2-) (FETHOB)Br4Pd
  5271 Palladium(II) tetrabromide (Geo)Br4Pd
  5272 Pd2(Cp)2(CO)2C12H10O2Pd2
  5273 Pd2(Cp)2(CO)2 (Geo)C12H10O2Pd2
  5274 pi-Allyl palladium chloride dimer (Geo)C6H10Cl2Pd2
  5275 pi-Allyl palladium chloride dimerC6H10Cl2Pd2
  5276 Silver, cationAg


ΔHf: -133.1 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.
  
 CHARGE=-1 UHF PM7
Pd(II)(CO)Br3(-) (KATPIE)
 H=-133.1 HR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.42534058 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.44164199 +1   94.3098254 +1    0.0000000 +0     1     2     0
  C     1.94436644 +1   85.8457112 +1  179.9833750 +1     1     3     2
  O     1.15554664 +1  179.9383536 +1 -155.3261651 +1     4     1     3
 Br     2.44417549 +1   94.9686722 +1 -179.9953431 +1     1     2     3