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

Pd(II)(CO)Cl3(-) (KATPEA)   5253 Pd(II)(CO)Cl3(-) (KATPEA)

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    #  Species Formula
  5243 Pd(II)N2Cl2 (COGYEC) (Geo)C4H12N2Cl2Pd
  5244 Pd(II)Cl2N2 (BUQRUA) (Geo)C16H24N4Cl2Pd
  5245 Pd(II)C2Cl2 (BATTIZ) (Geo)C11H10N2O2Cl2Pd
  5246 Pd(II)C2Cl2 (BATTIZ)C11H10N2O2Cl2Pd
  5247 cis-Pd(PH3)2Cl2 (Geo)H6P2Cl2Pd
  5248 trans-Pd(PH3)2Cl2 (Geo)H6P2Cl2Pd
  5249 cis-Pd(PPh3)2Cl2C36H30P2Cl2Pd
  5250 trans-Pd(Cl)2(SEt2)2C8H20S2Cl2Pd
  5251 trans-Pd(Cl)2(SEt2)2 (Geo)C8H20S2Cl2Pd
  5252 Pd(II)(CO)Cl3(-) (KATPEA) (Geo)COCl3Pd
  5253 Pd(II)(CO)Cl3(-) (KATPEA) COCl3Pd
  5254 Palladium(II) tetrachlorideCl4Pd
  5255 Pd(II)Cl4(2-) (AVUKOR) (Geo)Cl4Pd
  5256 Pd(II)Cl4(2-) (AVUKOR)Cl4Pd
  5257 Palladium(II) tetrachloride (Geo)Cl4Pd
  5258 Pd(IV)N2Cl4 (BOKHAK) (Geo)C10H8N2Cl4Pd
  5259 Pd(IV)N2Cl4 (BOKHAK)C10H8N2Cl4Pd
  5260 Pd(IV)Cl6(2-) (JIZLOT) (Geo)Cl6Pd
  5261 Pd(IV)Cl6(2-) (JIZLOT)Cl6Pd
  5262 Palladium(II) dibromideBr2Pd
  5263 Palladium(II) dibromide (Geo)Br2Pd


ΔHf: -151.7 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)Cl3(-) (KATPEA)
 H=-151.7 HR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.26547649 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.18572501 +1   98.4121819 +1    0.0000000 +0     1     2     0
  C     1.91101684 +1   80.6829223 +1 -173.1671399 +1     1     3     2
  O     1.15968984 +1  179.1762139 +1  100.9529578 +1     4     1     3
 Cl     2.18563384 +1   99.7092500 +1  178.5834233 +1     1     2     3