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

rhodium(i) iodide   5990 Rhodium(I) iodide

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    #  Species Formula
  5980 Tc(CO)5I (Geo)C5O5TcI
  5981 Ruthenium(I) iodide (Geo)RuI
  5982 Ruthenium(I) iodideRuI
  5983 RuC9I (BEPJEL) (Geo)C9H11RuI
  5984 RuC9I (BEPJEL)C9H11RuI
  5985 Ru(Cp)2I(+) (RUTCIT10) (Geo)C10H10RuI
  5986 Ru(Cp)2I(+) (RUTCIT10)C10H10RuI
  5987 Ru(CO)3(C3H6)IC6H5O3RuI
  5988 Ru(CO)3(C3H6)I (Geo)C6H5O3RuI
  5989 Rhodium(I) iodide (Geo)RhI
  5990 Rhodium(I) iodide RhI
  5991 Rh(III)N4CI (HEFTER) (Geo)C13H19N5O4RhI
  5992 Rh(III)N4CI (HEFTER)C13H19N5O4RhI
  5993 Palladium F I (Geo)FPdI
  5994 Silver(I) iodide (Geo)AgI
  5995 Silver(I) iodideAgI
  5996 Indium iodideInI
  5997 Indium iodide (Geo)InI
  5998 In(III)N2IBrIn (CIHPOY) (Geo)C12H32N4Br3In2I
  5999 In(III)N2IBrIn (CIHPOY)C12H32N4Br3In2I
  6000 Tin iodideSnI


ΔHf: 125.2 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.
Dipole: 3.8 Debye,     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.
I.P.: 5.0 eV,     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 SHIFT=80 PULAY PM7
Rhodium(I) iodide
 I=4.965 IR=PW91D D=3.845 DR=PW91D H=125.2 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.53888945 +1    0.0000000 +0    0.0000000 +0     1     0     0