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

inbr3r   5471 Indium tribromide (Geo)

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    #  Species Formula
  5461 In(III)O2Cl3 (VUKKOB) (Geo)H4O2Cl3In
  5462 In(III)Cl6(3-) (FUVCAA) (Geo)Cl6In
  5463 In(III)Cl6(3-) (FUVCAA)Cl6In
  5464 InH3-GaH3, complex (Geo)H6GaIn
  5465 Indium selenideSeIn
  5466 Indium selenide, complex (Geo)SeIn
  5467 Indium bromide (Geo)BrIn
  5468 Indium bromideBrIn
  5469 In(III)C2Br2(-) (MASMBI) (Geo)C2H6Br2In
  5470 In(III)C2Br2(-) (MASMBI)C2H6Br2In
  5471 Indium tribromide (Geo) Br3In
  5472 Indium tribromideBr3In
  5473 In(III)CBr3 (PETNUX) (Geo)C6H14N2SBr3In
  5474 In(III)CBr3 (PETNUX)C6H14N2SBr3In
  5475 In(((I)ClBr3(-) (BUPNAB) (Geo)ClBr3In
  5476 In(((I)ClBr3(-) (BUPNAB)ClBr3In
  5477 Indium, dimerIn2
  5478 In(III)C2N2 (AMDMIN) (Geo)C8H24N2In2
  5479 In(III)C2N2 (AMDMIN)C8H24N2In2
  5480 Indium(I) oxide (Geo)OIn2
  5481 Indium trifluoride, dimerF6In2


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
 <In-Br> GR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.49585400 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.44936329 +1  119.9922826 +1    0.0000000 +0     1     2     0
 Br     2.44933426 +1  119.9842596 +1 -179.9999998 +1     1     2     3