Accuracy

in2f6   5479 Indium trifluoride, dimer

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  5469 Indium tribromide (Geo)Br3In
  5470 Indium tribromideBr3In
  5471 In(III)CBr3 (PETNUX) (Geo)C6H14N2SBr3In
  5472 In(III)CBr3 (PETNUX)C6H14N2SBr3In
  5473 In(((I)ClBr3(-) (BUPNAB) (Geo)ClBr3In
  5474 In(((I)ClBr3(-) (BUPNAB)ClBr3In
  5475 Indium, dimerIn2
  5476 In(III)C2N2 (AMDMIN) (Geo)C8H24N2In2
  5477 In(III)C2N2 (AMDMIN)C8H24N2In2
  5478 Indium(I) oxide (Geo)OIn2
  5479 Indium trifluoride, dimer F6In2
  5480 Indium trifluoride, dimer (Geo)F6In2
  5481 Indium(I) sulfideSIn2
  5482 Diindium trichlorideCl3In2
  5483 Indium trichloride, dimerCl6In2
  5484 Indium trichloride, dimer (Geo)Cl6In2
  5485 Indium(I) selenide (Geo)SeIn2
  5486 Indium tribromide, dimerBr6In2
  5487 Indium tribromide, dimer (Geo)Br6In2
  5488 Tin, cationSn
  5489 Tin, atomSn


ΔHf: -399.8 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
Indium trifluoride, dimer
 H=-399.8 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 In     3.26326706 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.00904759 +1   35.6824005 +1    0.0000000 +0     2     1     0
  F     2.00894329 +1   35.7077883 +1 -178.8679368 +1     1     2     3
  F     1.91372928 +1  120.8251344 +1   89.0527233 +1     1     2     4
  F     1.91370569 +1  119.8951781 +1 -179.5858901 +1     1     2     5
  F     1.91377842 +1  121.0180337 +1   89.0659975 +1     2     1     3
  F     1.91371884 +1  119.6665604 +1 -179.5224351 +1     2     1     7