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

in(iii)c2br2(-) (masmbi)   5470 In(III)C2Br2(-) (MASMBI)

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    #  Species Formula
  5460 Indium trichlorideCl3In
  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


ΔHf: -110.0 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.
  
 CHARGE=-1 PM7
In(III)C2Br2(-) (MASMBI)
 H=-110.0 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.56419094 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.56498567 +1  105.5397343 +1    0.0000000 +0     1     2     0
  C     2.18419893 +1  109.5038695 +1 -117.4417207 +1     1     2     3
  C     2.18422624 +1  109.6588277 +1 -124.7238929 +1     1     2     4
  H     1.08413207 +1  109.4340170 +1  124.6654529 +1     4     1     2
  H     1.08397042 +1  109.6715035 +1 -119.5954459 +1     4     1     6
  H     1.08255201 +1  109.9869902 +1 -120.2615842 +1     4     1     7
  H     1.08405640 +1  109.6472522 +1 -102.8172392 +1     5     1     2
  H     1.08377482 +1  109.5778042 +1  119.7252056 +1     5     1     9
  H     1.08270277 +1  109.8696666 +1  120.1926654 +1     5     1    10