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

methyl rhodium(iii) chloride hydroxide   5143 Methyl rhodium(III) chloride hydroxide (Geo)

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    #  Species Formula
  5133 Rh(III)P3C3 (TOXBEN) (Geo)C14H36P3Rh
  5134 Rhodium sulfideSRh
  5135 Rhodium sulfide (Geo)SRh
  5136 Rh(III)C3N2S (KIJSAX)C13H33N2SRh
  5137 Rh(III)N3S3(3+) (SCRHCL) (Geo)C3H15N9S3Rh
  5138 Rh(III)N3S3(3+) (SCRHCL)C3H15N9S3Rh
  5139 Rhodium(i) chloride (Geo)ClRh
  5140 Rhodium(i) chlorideClRh
  5141 Rh(I)C8Cl (DBURHC10) (Geo)C8H12ClRh
  5142 Rh(I)C8Cl (DBURHC10)C8H12ClRh
  5143 Methyl rhodium(III) chloride hydroxide (Geo) CH4OClRh
  5144 RhC2NCl (CAWZUV) (Geo)C5H4N2O2ClRh
  5145 RhC2NCl (CAWZUV)C5H4N2O2ClRh
  5146 Rh(III)N4Cl2(+) (DEYMUP) (Geo)C4H16N4Cl2Rh
  5147 Rh(III)N4Cl2(+) (DEYMUP)C4H16N4Cl2Rh
  5148 Rh(I)C2Cl2(-) (GABKOJ) (Geo)C2O2Cl2Rh
  5149 Rh(III)N4Cl2(-) (CDMGRH10) (Geo)C8H14N4O4Cl2Rh
  5150 Rh(III)OS2Cl3 (DMSRHC10) (Geo)C6H18O3S3Cl3Rh
  5151 Rhodium(V) tetrachloride, cation (Geo)Cl4Rh
  5152 Rh(III)O2Cl4(-) (TMAARH) (Geo)O2Cl4Rh
  5153 Rhodium(I) bromide (Geo)BrRh


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.
  
 SHIFT=80 PULAY PM7
Methyl rhodium(III) chloride hydroxide
 <Rh-O> <Rh-C><> <Rh-Cl> GR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Rh     1.91183400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.03299900 +1   85.6724094 +1    0.0000000 +0     2     1     0
 Cl     2.25657100 +1   94.5675260 +1  -89.7847072 +1     2     1     3
  H     1.08574713 +1  105.8189805 +1 -152.3517957 +1     3     2     1
  H     1.09149611 +1  105.2669777 +1  120.9119286 +1     3     2     5
  H     1.08909534 +1  102.2315079 +1  118.5017965 +1     3     2     6
  H     0.97674473 +1  104.8970774 +1  133.8857647 +1     1     2     3