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

in2br6r   5489 Indium tribromide, dimer (Geo)

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    #  Species Formula
  5479 In(III)C2N2 (AMDMIN)C8H24N2In2
  5480 Indium(I) oxide (Geo)OIn2
  5481 Indium trifluoride, dimerF6In2
  5482 Indium trifluoride, dimer (Geo)F6In2
  5483 Indium(I) sulfideSIn2
  5484 Diindium trichlorideCl3In2
  5485 Indium trichloride, dimerCl6In2
  5486 Indium trichloride, dimer (Geo)Cl6In2
  5487 Indium(I) selenide (Geo)SeIn2
  5488 Indium tribromide, dimerBr6In2
  5489 Indium tribromide, dimer (Geo) Br6In2
  5490 Tin, cationSn
  5491 Tin, atomSn
  5492 Tin hydrideHSn
  5493 Tin tetrahydride (stannane) (Geo)H4Sn
  5494 Tin tetrahydride (stannane)H4Sn
  5495 Methyltin trihydride (Geo)CH6Sn
  5496 DimethylstannaneC2H8Sn
  5497 Dimethyltin dihydride (Geo)C2H8Sn
  5498 Trimethyltin hydride (Geo)C3H10Sn
  5499 Trimethyltin hydrideC3H10Sn


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 tribromide, dimer
 <In-In> <In-Br><> <><><> <In-Br> GR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 In     3.84144500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.71658300 +1   42.5593126 +1    0.0000000 +0     1     2     0
 Br     2.60346710 +1   42.7102060 +1 -174.5345836 +1     1     2     3
 Br     2.50020200 +1  124.6134551 +1   87.0282414 +1     1     2     4
 Br     2.45003594 +1  117.9127195 +1 -179.7831859 +1     1     2     5
 Br     2.45793807 +1  124.6613073 +1   87.9235918 +1     2     1     3
 Br     2.45829876 +1  117.6870355 +1  178.2846145 +1     2     1     7