Accuracy

pi-allyl palladium chloride dimer   5275 pi-Allyl palladium chloride dimer

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    #  Species Formula
  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 dimer C6H10Cl2Pd2
  5276 Silver, cationAg
  5277 Silver, atomAg
  5278 AgH, cation (Geo)HAg
  5279 Silver, anionAg
  5280 AgH (Geo)HAg
  5281 Silver hydrideHAg
  5282 Ag(i)C6 (AMIXEZ) (Geo)C6H12Ag
  5283 Ag(i)-pi-C (OCDAGB) (Geo)C16H24Ag
  5284 Silver cyanide (Geo)CNAg
  5285 Silver cyanideCNAg


ΔHf: 4.4 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PULAY SHIFT=80 PM7
pi-Allyl palladium chloride dimer
 HR=NIST H=4.4
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pd     2.40498795 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.27612358 +1   58.0738291 +1    0.0000000 +0     1     2     0
 Cl     2.27637880 +1   58.0648958 +1  179.9773498 +1     2     1     3
  C     2.16614312 +1  145.3409869 +1  -13.6232869 +1     1     2     3
  C     1.39417784 +1   74.9055264 +1  168.6200294 +1     5     1     2
  C     1.39457503 +1  118.3614044 +1   48.3257071 +1     6     5     1
  C     2.16688675 +1  145.3200810 +1   13.7195530 +1     2     1     4
  C     1.39414157 +1   74.8884933 +1 -168.6930968 +1     8     2     1
  C     1.39501470 +1  118.3224906 +1  -48.3050913 +1     9     8     2
  H     1.07987199 +1  129.9538644 +1 -119.7391456 +1     5     1     6
  H     1.09860707 +1   84.3503066 +1 -116.3995793 +1     5     1    11
  H     1.09441878 +1  120.4894894 +1 -170.6903425 +1     6     5     7
  H     1.09829134 +1  120.6796285 +1   26.2187069 +1     7     6     5
  H     1.07967688 +1  122.3120899 +1  157.9475871 +1     7     6    14
  H     1.09845839 +1   84.3195313 +1 -123.8940166 +1     8     2     9
  H     1.07996265 +1  130.0634709 +1 -116.3420727 +1     8     2    16
  H     1.09423791 +1  120.5715452 +1  170.6667689 +1     9     8    10
  H     1.07963375 +1  122.1601205 +1  176.0007438 +1    10     9     8
  H     1.09845821 +1  120.5445469 +1  157.9158495 +1    10     9    19