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

pd_ifr   5993 Palladium F I (Geo)

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    #  Species Formula
  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) iodideRhI
  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
  6001 Tin iodide trihydride (Geo)H3SnI
  6002 Trimethyltin iodide (Geo)C3H9SnI
  6003 Trimethyltin iodideC3H9SnI


REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
  
 PULAY SHIFT=80 PM7
Palladium F I
 <Pd-F> <Pd-I> GR=B88_LYP
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pd     1.93400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.59200000 +1  179.9963261 +1  180.0000000 +0     2     1     0