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

li2i2r   6011 Lithium iodide dimer (Geo)

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    #  Species Formula
  6001 Tin iodide trihydride (Geo)H3SnI
  6002 Trimethyltin iodide (Geo)C3H9SnI
  6003 Trimethyltin iodideC3H9SnI
  6004 Sb(III)C2I (DOQWEL) (Geo)C2H6SbI
  6005 Sb(III)C2I (DOQWEL)C2H6SbI
  6006 Sb(III)IC2 (DOQWEL) (Geo)C2H6SbI
  6007 Sb(III)C2IN (GIVSIN) (Geo)C7H15NSbI
  6008 SbIS2 (AFOFAD) (Geo)C2H4S2SbI
  6009 Iodine (Geo)I2
  6010 Iodine dimerI2
  6011 Lithium iodide dimer (Geo) Li2I2
  6012 Lithium iodide, dimerLi2I2
  6013 Beryllium diiodide (Geo)BeI2
  6014 Beryllium diiodideBeI2
  6015 Diiodomethane (Geo)CH2I2
  6016 DiiodomethaneCH2I2
  6017 DiiodoacetyleneC2I2
  6018 E-1,2-DiiodoetheneC2H2I2
  6019 E-1,2-Diiodoethylene (Geo)C2H2I2
  6020 Z-1,2-DiiodoetheneC2H2I2
  6021 Z-1,2-Diiodoethylene (Geo)C2H2I2


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.
  
 SYMMETRY PM7
Lithium iodide dimer
 <Li-I> <Li-I-Li> GR=PW91D
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     2.68293400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.68293400 +0  113.9391240 +1    0.0000000 +0     2     1     0
 Li     2.68293400 +0   66.0608760 +0   -0.1206277 +1     3     2     1