Accuracy

in(iii)(ox)3(3-)   5432 In(III)(Ox)3(3-)

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    #  Species Formula
  5422 In(III)(H2O)6H12O6In
  5423 In(III)(H2O)6 (Geo)H12O6In
  5424 In(III)O6 (ACACIN) (Geo)C15H21O6In
  5425 In(III)O6 (ACACIN)C15H21O6In
  5426 In(III)(pc)3(3-)C18H12O6In
  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


ΔHf: -532.5 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=-3 PM7
In(III)(Ox)3(3-)
 H=-532.5 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.21736297 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.21311775 +1   73.2793821 +1    0.0000000 +0     1     2     0
  O     2.21589927 +1   93.7875542 +1 -103.0363957 +1     1     2     3
  O     2.21588214 +1  159.6664404 +1   48.9535713 +1     1     2     4
  O     2.21476371 +1   92.3025589 +1 -142.6522739 +1     1     2     5
  O     2.21535888 +1  103.6313299 +1  -73.3586012 +1     1     2     6
  C     1.27821340 +1  118.2399177 +1    0.2615584 +1     2     1     3
  C     1.27886736 +1  118.3464528 +1    0.1003472 +1     3     1     2
  C     1.27836810 +1  118.3951420 +1  164.5115458 +1     4     1     2
  C     1.27828423 +1  118.4165893 +1  -51.5507646 +1     5     1     2
  C     1.27834662 +1  118.2791728 +1 -102.3083112 +1     6     1     2
  C     1.27857289 +1  118.2644000 +1   88.0128571 +1     7     1     2
  O     1.22560585 +1  123.4908620 +1  178.5088563 +1    12     6     1
  O     1.22562296 +1  123.4593659 +1  179.5225880 +1    13     7     1
  O     1.22557453 +1  123.5142371 +1  179.3395678 +1    10     4     1
  O     1.22564141 +1  123.5210753 +1  179.2982570 +1    11     5     1
  O     1.22569249 +1  123.5738538 +1  179.6351729 +1     8     2     1
  O     1.22545087 +1  123.4330423 +1  179.8000649 +1     9     3     1