Accuracy

RhC2NCl (CAWZUV)   5143 RhC2NCl (CAWZUV)

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    #  Species Formula
  5133 Rhodium sulfide (Geo)SRh
  5134 Rh(III)C3N2S (KIJSAX)C13H33N2SRh
  5135 Rh(III)N3S3(3+) (SCRHCL) (Geo)C3H15N9S3Rh
  5136 Rh(III)N3S3(3+) (SCRHCL)C3H15N9S3Rh
  5137 Rhodium(i) chloride (Geo)ClRh
  5138 Rhodium(i) chlorideClRh
  5139 Rh(I)C8Cl (DBURHC10) (Geo)C8H12ClRh
  5140 Rh(I)C8Cl (DBURHC10)C8H12ClRh
  5141 Methyl rhodium(III) chloride hydroxide (Geo)CH4OClRh
  5142 RhC2NCl (CAWZUV) (Geo)C5H4N2O2ClRh
  5143 RhC2NCl (CAWZUV) C5H4N2O2ClRh
  5144 Rh(III)N4Cl2(+) (DEYMUP) (Geo)C4H16N4Cl2Rh
  5145 Rh(III)N4Cl2(+) (DEYMUP)C4H16N4Cl2Rh
  5146 Rh(I)C2Cl2(-) (GABKOJ) (Geo)C2O2Cl2Rh
  5147 Rh(III)N4Cl2(-) (CDMGRH10) (Geo)C8H14N4O4Cl2Rh
  5148 Rh(III)OS2Cl3 (DMSRHC10) (Geo)C6H18O3S3Cl3Rh
  5149 Rhodium(V) tetrachloride, cation (Geo)Cl4Rh
  5150 Rh(III)O2Cl4(-) (TMAARH) (Geo)O2Cl4Rh
  5151 Rhodium(I) bromide (Geo)BrRh
  5152 Rhodium(I) bromideBrRh
  5153 Rhodium(V) oxide dibromide, cation (Geo)OBr2Rh


ΔHf: -25.6 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 PULAY PM7
RhC2NCl (CAWZUV)
 H=-25.6 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.04765944 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.65617939 +1   85.8892131 +1    0.0000000 +0     1     2     0
  C     1.96476486 +1  102.3762254 +1  179.7391896 +1     1     3     2
  N     2.29461187 +1   93.0994901 +1  178.8023281 +1     1     2     3
  N     1.35883835 +1  106.3889661 +1  -40.0719511 +1     5     1     2
  C     1.38111102 +1  110.9881275 +1  157.5396285 +1     6     5     1
  C     1.39885172 +1  106.9388620 +1    1.1932859 +1     7     6     5
  C     1.35886170 +1  140.5713110 +1  146.3258514 +1     5     1     6
  H     1.01171715 +1  118.5695979 +1 -172.0329116 +1     6     5     7
  H     1.07332788 +1  122.7362718 +1  179.5146427 +1     7     6     8
  H     1.06727467 +1  127.8231722 +1  178.9583789 +1     8     7     6
  H     1.07472573 +1  121.7695311 +1   34.5195192 +1     9     5     1
  O     1.15094989 +1  128.1043788 +1 -179.6986097 +1     3     2     1
  O     1.14131139 +1  156.2346810 +1 -173.0163076 +1     4     1     3