Accuracy

sb(iii)c2i (doqwel)   6004 Sb(III)C2I (DOQWEL)

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    #  Species Formula
  5994 Silver(I) iodideAgI
  5995 Indium iodideInI
  5996 Indium iodide (Geo)InI
  5997 In(III)N2IBrIn (CIHPOY) (Geo)C12H32N4Br3In2I
  5998 In(III)N2IBrIn (CIHPOY)C12H32N4Br3In2I
  5999 Tin iodideSnI
  6000 Tin iodide trihydride (Geo)H3SnI
  6001 Trimethyltin iodide (Geo)C3H9SnI
  6002 Trimethyltin iodideC3H9SnI
  6003 Sb(III)C2I (DOQWEL) (Geo)C2H6SbI
  6004 Sb(III)C2I (DOQWEL) C2H6SbI
  6005 Sb(III)IC2 (DOQWEL) (Geo)C2H6SbI
  6006 Sb(III)C2IN (GIVSIN) (Geo)C7H15NSbI
  6007 SbIS2 (AFOFAD) (Geo)C2H4S2SbI
  6008 Iodine (Geo)I2
  6009 Iodine dimerI2
  6010 Lithium iodide dimer (Geo)Li2I2
  6011 Lithium iodide, dimerLi2I2
  6012 Beryllium diiodide (Geo)BeI2
  6013 Beryllium diiodideBeI2
  6014 Diiodomethane (Geo)CH2I2


ΔHf: 1.6 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.
  
 PM7
Sb(III)C2I (DOQWEL)
 H=1.6 HR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.76368964 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.15872738 +1   95.6571318 +1    0.0000000 +0     1     2     0
  C     2.15871554 +1   95.6387187 +1  -97.3034878 +1     1     2     3
  H     1.11020234 +1  111.0793124 +1 -173.6199162 +1     3     1     2
  H     1.11051436 +1  111.8653348 +1 -118.9577894 +1     3     1     5
  H     1.11022117 +1  111.0336398 +1  173.7993995 +1     4     1     2
  H     1.10940212 +1  113.2834570 +1 -120.3305745 +1     4     1     7
  H     1.11039911 +1  111.9806671 +1 -120.6885260 +1     4     1     8
  H     1.10929424 +1  113.3610477 +1 -120.6590392 +1     3     1     6