Accuracy

PdC2Br2 (AMIPER)   5264 PdC2Br2 (AMIPER)

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    #  Species Formula
  5254 Pd(II)Cl4(2-) (AVUKOR)Cl4Pd
  5255 Palladium(II) tetrachloride (Geo)Cl4Pd
  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


ΔHf: 50.2 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 PM7
PdC2Br2 (AMIPER)
 H=50.2 HR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.45650948 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.48244966 +1  112.6917201 +1    0.0000000 +0     1     2     0
  N     3.39991696 +1  179.9966625 +1   72.7169411 +1     1     2     3
  N     2.19665368 +1   49.9088750 +1  173.1270813 +1     4     1     2
  N     2.41004286 +1  133.4422423 +1  -49.5805430 +1     5     4     1
  N     2.19507332 +1  133.4619904 +1   -1.5199098 +1     6     5     4
  C     1.36309346 +1   11.8407630 +1    0.9761827 +1     4     1     5
  C     1.41693155 +1  122.4484592 +1   -4.4233091 +1     4     1     8
  C     1.37842146 +1  107.4441812 +1    2.3723601 +1     9     4     1
  C     1.45265317 +1  113.3125259 +1 -178.8601939 +1     4     1     9
  C     1.46118939 +1   34.4690038 +1  148.7831918 +1     6     5     7
  C     1.36474362 +1   38.1921683 +1   56.2257766 +1     7     6     5
  C     1.41679813 +1   72.7209599 +1 -178.0264024 +1     7     6    13
  C     1.37749335 +1  107.3336709 +1    0.8920744 +1    14     7     6
  C     1.45276478 +1  162.9274275 +1 -178.2354402 +1     7     6    14
  H     1.07108506 +1  122.0637730 +1  179.1701542 +1     9     4    10
  H     1.07023121 +1  130.8331397 +1  179.7849552 +1    10     9     4
  H     1.10989490 +1  110.3891173 +1  -96.8487036 +1    11     4     1
  H     1.10263360 +1  111.4088602 +1 -121.4107562 +1    11     4    19
  H     1.11075859 +1  110.0209676 +1 -120.4818360 +1    11     4    20
  H     1.21760765 +1  108.4045642 +1 -118.6615748 +1    12     6     5
  H     1.11739567 +1  110.8516523 +1 -117.7708668 +1    12     6    22
  H     1.07081909 +1  122.1064107 +1 -179.3099622 +1    14     7    15
  H     1.07035597 +1  130.8621968 +1  179.8897305 +1    15    14     7
  H     1.10869318 +1  110.5399600 +1   96.3927965 +1    16     7     6
  H     1.11110073 +1  109.9545576 +1 -118.3799453 +1    16     7    26
  H     1.10308299 +1  111.3562889 +1 -120.2321216 +1    16     7    27