Accuracy

in(iii)(h2o)6   5422 In(III)(H2O)6

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    #  Species Formula
  5412 Trimethyl indium (Geo)C3H9In
  5413 Trimethyl indiumC3H9In
  5414 In(III)C4(-) (CMEIND) (Geo)C4H12In
  5415 In(III)C4(-) (CMEIND)C4H12In
  5416 In(III)(NH3)6H18N6In
  5417 In(III)(NH3)6 (Geo)H18N6In
  5418 Indium oxideOIn
  5419 Indium hydroxideHOIn
  5420 Indium tri-hydroxideH3O3In
  5421 Indium tri-hydroxide (Geo)H3O3In
  5422 In(III)(H2O)6 H12O6In
  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


ΔHf: 382.7 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)(H2O)6
 H=382.7 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.18972391 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.18974822 +1   89.8301730 +1    0.0000000 +0     1     2     0
  O     2.18998347 +1   90.0151479 +1   89.9321037 +1     1     2     3
  O     2.18973390 +1   90.1187041 +1   89.8571816 +1     1     2     4
  O     2.18948535 +1   89.9691190 +1   90.0749574 +1     1     2     5
  O     2.18977374 +1   89.6951885 +1 -179.9927236 +1     1     6     2
  H     0.98897440 +1  127.0956729 +1    0.0611948 +1     2     1     3
  H     0.98889546 +1  127.1424855 +1  179.9203813 +1     2     1     8
  H     0.98891379 +1  127.1765764 +1    0.6389862 +1     7     1     3
  H     0.98893200 +1  127.0698120 +1  178.7487863 +1     7     1    10
  H     0.98897635 +1  127.0937559 +1    0.0022385 +1     4     1     2
  H     0.98886904 +1  127.1700704 +1 -179.9128888 +1     4     1    12
  H     0.98894507 +1  127.0681186 +1  179.9185964 +1     6     1     2
  H     0.98891450 +1  127.1595704 +1 -179.9259753 +1     6     1    14
  H     0.98889666 +1  127.1251797 +1   90.2287122 +1     3     1     2
  H     0.98899920 +1  127.1158188 +1  179.3851373 +1     3     1    16
  H     0.98894467 +1  127.1243424 +1   89.9172266 +1     5     1     2
  H     0.98886838 +1  127.1243463 +1 -179.6538265 +1     5     1    18