Accuracy

in(iii)(nh3)6r   5417 In(III)(NH3)6 (Geo)

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    #  Species Formula
  5407 Indium hydride (Geo)HIn
  5408 In(III)C2(+) (DMINBR) (Geo)C2H6In
  5409 In(III)C2(+) (DMINBR)C2H6In
  5410 In(III)C3 (TRMEIN) (Geo)C3H9In
  5411 In(III)C3 (TRMEIN)C3H9In
  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)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


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)(NH3)6
 <In-N> GR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.38433600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.33261037 +1   88.7741444 +1    0.0000000 +0     1     2     0
  N     2.32971204 +1   90.1944056 +1  179.8729249 +1     1     3     2
  N     2.33288893 +1   89.8280677 +1 -179.8765711 +1     1     2     3
  N     2.33324978 +1   90.4102722 +1  -89.0150275 +1     1     2     5
  H     1.02640827 +1  113.4816645 +1  -99.2721312 +1     6     1     2
  H     1.02663878 +1  113.1466222 +1 -120.0008148 +1     6     1     7
  H     1.02619223 +1  113.2338396 +1   38.0582833 +1     5     1     2
  H     1.02649517 +1  113.1458147 +1 -119.8376091 +1     5     1     9
  H     1.02623943 +1  113.2386016 +1  142.6871462 +1     4     1     5
  H     1.02653670 +1  113.1751494 +1  119.8486997 +1     4     1    11
  H     1.02618107 +1  113.3820063 +1 -148.5441356 +1     3     1     2
  H     1.02634863 +1  113.3687434 +1 -120.0949217 +1     3     1    13
  H     1.02622905 +1  113.3389372 +1   38.6844741 +1     2     1     3
  H     1.02664500 +1  113.1712581 +1 -119.7749930 +1     2     1    15
  N     2.33116175 +1   89.9801154 +1  178.3911324 +1     1     2     6
  H     1.02611921 +1  113.2773726 +1   -4.4673530 +1    17     1     2
  H     1.02632229 +1  113.1947584 +1 -119.9902618 +1    17     1    18
  H     1.02622443 +1  113.4197895 +1 -119.9931724 +1     2     1    16
  H     1.02626332 +1  113.1736814 +1 -119.9125659 +1     3     1    14
  H     1.02610278 +1  113.4217094 +1  120.0873732 +1     4     1    12
  H     1.02609483 +1  113.5081416 +1 -120.0290565 +1     5     1    10
  H     1.02634443 +1  113.3010856 +1 -119.8634637 +1     6     1     8
  H     1.02624720 +1  113.3028893 +1 -119.9737371 +1    17     1    19