Accuracy

dimethyl niobium iodide   5970 Dimethyl niobium iodide

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    #  Species Formula
  5960 Rubidium iodideRbI
  5961 Strontium iodideSrI
  5962 Sr(II)(H2O)5.IH10O5SrI
  5963 Sr(II)(H2O)5.I (Geo)H10O5SrI
  5964 Yttrium(I) monoiodide (Geo)YI
  5965 Yttrium(I) iodideYI
  5966 Zirconium(I) iodide (Geo)ZrI
  5967 Zirconium F I Cl C (Geo)CH3FClZrI
  5968 Niobium(I) iodide (Geo)NbI
  5969 Niobium(I) iodideNbI
  5970 Dimethyl niobium iodide C2H6NbI
  5971 Dimethyl niobium iodide (Geo)C2H6NbI
  5972 Molybdenum(I) iodide (Geo)MoI
  5973 Molybdenum(I) iodideMoI
  5974 Technetium(I) iodide (Geo)TcI
  5975 Technetium(I) iodideTcI
  5976 Technetium(III) oxide iodide (Geo)OTcI
  5977 Technetium(III) oxide iodideOTcI
  5978 Tc(CO)5IC5O5TcI
  5979 Tc(CO)5I (Geo)C5O5TcI
  5980 Ruthenium(I) iodide (Geo)RuI


ΔHf: 68.6 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.
  
 SHIFT=80 PM7
Dimethyl niobium iodide
 H=68.6 HR=PW91D
 Nb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.06303728 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.06380830 +1  105.0991313 +1    0.0000000 +0     1     2     0
  I     2.70895842 +1  110.0881445 +1  118.7754416 +1     1     2     3
  H     1.12793326 +1  111.2356106 +1 -128.5726970 +1     2     1     3
  H     1.12168954 +1  113.7059293 +1  117.9967548 +1     2     1     5
  H     1.12308952 +1  113.6309923 +1  121.8796266 +1     2     1     6
  H     1.12708290 +1  111.4398346 +1  128.5340414 +1     3     1     2
  H     1.12345193 +1  113.4322642 +1  120.1071660 +1     3     1     8
  H     1.12167894 +1  113.5856149 +1  121.5457694 +1     3     1     9