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

in(iii)(ox)3(3-)r   5435 In(III)(Ox)3(3-) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5425 In(III)(H2O)6 (Geo)H12O6In
  5426 In(III)O6 (ACACIN) (Geo)C15H21O6In
  5427 In(III)O6 (ACACIN)C15H21O6In
  5428 In(III)(pc)3(3-)C18H12O6In
  5429 In(III)(pc)3(3-) (Geo)C18H12O6In
  5430 In(III)N2O6 (BPACIN) (Geo)C16H17N2O6In
  5431 In(III)N2O6 (BPACIN)C16H17N2O6In
  5432 Indium(III)(EDTA) (Geo)C10H12N2O8In
  5433 Indium(III)(EDTA)C10H12N2O8In
  5434 In(III)(Ox)3(3-)C6O12In
  5435 In(III)(Ox)3(3-) (Geo) C6O12In
  5436 Indium fluorideFIn
  5437 Indium fluoride (Geo)FIn
  5438 In(III)F2C2(-) (CUPRIO) (Geo)C2H6F2In
  5439 In(III)F2C2(-) (CUPRIO)C2H6F2In
  5440 Indium trifluorideF3In
  5441 Indium trifluoride (Geo)F3In
  5442 In(III)F6(3-) (LORCIE) (Geo)F6In
  5443 In(III)F6(3-) (LORCIE)F6In
  5444 In(III)C3P (FOBFAE) (Geo)C6H18PIn
  5445 Indium(II) sulfideSIn


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-)
 <In-O> GR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.23080800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.21280108 +1   73.0552170 +1    0.0000000 +0     1     2     0
  O     2.21568370 +1   93.4643261 +1 -103.3247653 +1     1     2     3
  O     2.21585422 +1  159.0873011 +1   49.0731897 +1     1     2     4
  O     2.21523881 +1   92.6046132 +1 -142.8985438 +1     1     2     5
  O     2.21516151 +1  104.0737631 +1  -73.3462266 +1     1     2     6
  C     1.27757113 +1  118.0775675 +1    0.2534346 +1     2     1     3
  C     1.27901564 +1  118.6403046 +1    0.0481671 +1     3     1     2
  C     1.27845754 +1  118.4151980 +1  164.1145280 +1     4     1     2
  C     1.27839125 +1  118.4216362 +1  -51.8211395 +1     5     1     2
  C     1.27846282 +1  118.3521982 +1 -102.8726218 +1     6     1     2
  C     1.27848527 +1  118.3606154 +1   88.1016060 +1     7     1     2
  O     1.22557197 +1  123.4537315 +1  178.8176674 +1    12     6     1
  O     1.22558752 +1  123.4430679 +1  179.8141527 +1    13     7     1
  O     1.22556530 +1  123.4701374 +1  179.2094679 +1    10     4     1
  O     1.22563159 +1  123.4569332 +1  179.4464196 +1    11     5     1
  O     1.22593772 +1  123.5480056 +1  179.7045156 +1     8     2     1
  O     1.22563700 +1  123.2997567 +1  179.8628671 +1     9     3     1