Accuracy

Pd(II)Br4(2-) (FETHOB)   5270 Pd(II)Br4(2-) (FETHOB)

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    #  Species Formula
  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
  5277 Silver, atomAg
  5278 AgH, cation (Geo)HAg
  5279 Silver, anionAg
  5280 AgH (Geo)HAg


ΔHf: -98.9 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.
  
 UHF CHARGE=-2 PM7
Pd(II)Br4(2-) (FETHOB)
 H=-98.9 HR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.46393985 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.46392508 +1   90.0122658 +1    0.0000000 +0     1     2     0
 Br     2.46392091 +1   89.9786859 +1  179.9991471 +1     1     3     2
 Br     2.46391877 +1   89.9813468 +1  179.9996870 +1     1     2     3