Accuracy

in(iii)f2c2(-) (cuprio)   5437 In(III)F2C2(-) (CUPRIO)

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    #  Species Formula
  5427 In(III)(pc)3(3-) (Geo)C18H12O6In
  5428 In(III)N2O6 (BPACIN) (Geo)C16H17N2O6In
  5429 In(III)N2O6 (BPACIN)C16H17N2O6In
  5430 Indium(III)(EDTA) (Geo)C10H12N2O8In
  5431 Indium(III)(EDTA)C10H12N2O8In
  5432 In(III)(Ox)3(3-)C6O12In
  5433 In(III)(Ox)3(3-) (Geo)C6O12In
  5434 Indium fluorideFIn
  5435 Indium fluoride (Geo)FIn
  5436 In(III)F2C2(-) (CUPRIO) (Geo)C2H6F2In
  5437 In(III)F2C2(-) (CUPRIO) C2H6F2In
  5438 Indium trifluorideF3In
  5439 Indium trifluoride (Geo)F3In
  5440 In(III)F6(3-) (LORCIE) (Geo)F6In
  5441 In(III)F6(3-) (LORCIE)F6In
  5442 In(III)C3P (FOBFAE) (Geo)C6H18PIn
  5443 Indium(II) sulfideSIn
  5444 InF2(CH3S)CH3F2SIn
  5445 InF2(CH3S) (Geo)CH3F2SIn
  5446 InF2(Me2S)(+)C2H6F2SIn
  5447 InF2(Me2S)(+) (Geo)C2H6F2SIn


ΔHf: -183.5 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)F2C2(-) (CUPRIO)
 H=-183.5 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.95985336 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.96011416 +1  109.5944157 +1    0.0000000 +0     1     2     0
  C     2.20156529 +1  109.4645080 +1  120.0351442 +1     1     2     3
  H     1.08234013 +1  108.5850255 +1   -6.9654307 +1     4     1     2
  H     1.08246191 +1  108.2912638 +1 -119.4018920 +1     4     1     5
  H     1.08051440 +1  109.6884658 +1 -120.2547438 +1     4     1     6
  C     2.20173286 +1  109.6432321 +1  120.4182134 +1     1     2     4
  H     1.08247994 +1  108.2965615 +1  123.5290453 +1     8     1     2
  H     1.08223331 +1  108.6258954 +1 -119.4433738 +1     8     1     9
  H     1.08052327 +1  109.6228858 +1 -120.3507343 +1     8     1    10