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

in(iii)(nh3)6   5418 In(III)(NH3)6

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5408 Indium hydrideHIn
  5409 Indium hydride (Geo)HIn
  5410 In(III)C2(+) (DMINBR) (Geo)C2H6In
  5411 In(III)C2(+) (DMINBR)C2H6In
  5412 In(III)C3 (TRMEIN) (Geo)C3H9In
  5413 In(III)C3 (TRMEIN)C3H9In
  5414 Trimethyl indium (Geo)C3H9In
  5415 Trimethyl indiumC3H9In
  5416 In(III)C4(-) (CMEIND) (Geo)C4H12In
  5417 In(III)C4(-) (CMEIND)C4H12In
  5418 In(III)(NH3)6 H18N6In
  5419 In(III)(NH3)6 (Geo)H18N6In
  5420 Indium oxideOIn
  5421 Indium hydroxideHOIn
  5422 Indium tri-hydroxideH3O3In
  5423 Indium tri-hydroxide (Geo)H3O3In
  5424 In(III)(H2O)6H12O6In
  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


ΔHf: 557.2 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)(NH3)6
 H=557.2 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.33268412 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.33221768 +1   89.0836188 +1    0.0000000 +0     1     2     0
  N     2.33205082 +1   89.7297734 +1  179.8119634 +1     1     3     2
  N     2.33273410 +1   90.0677447 +1 -179.8582827 +1     1     2     3
  N     2.33283198 +1   90.6933755 +1  -88.9978177 +1     1     2     5
  H     1.02658793 +1  113.5306972 +1  -99.2814561 +1     6     1     2
  H     1.02673831 +1  113.1584355 +1 -119.9870748 +1     6     1     7
  H     1.02644863 +1  113.3063442 +1   37.0354861 +1     5     1     2
  H     1.02669470 +1  113.1855693 +1 -119.8218307 +1     5     1     9
  H     1.02634308 +1  113.2963267 +1  143.5471964 +1     4     1     5
  H     1.02664708 +1  113.2532718 +1  119.8291846 +1     4     1    11
  H     1.02627637 +1  113.4089128 +1 -147.9219500 +1     3     1     2
  H     1.02657222 +1  113.4144790 +1 -120.0875354 +1     3     1    13
  H     1.02642294 +1  113.3672342 +1   37.3044588 +1     2     1     3
  H     1.02679960 +1  113.2316612 +1 -119.7765091 +1     2     1    15
  N     2.33093504 +1   90.2032208 +1  178.4606489 +1     1     2     6
  H     1.02643663 +1  113.3743557 +1   -4.1831915 +1    17     1     2
  H     1.02643659 +1  113.2270311 +1 -120.0057840 +1    17     1    18
  H     1.02640187 +1  113.4640115 +1 -119.9968115 +1     2     1    16
  H     1.02656114 +1  113.2635576 +1 -119.9334249 +1     3     1    14
  H     1.02624731 +1  113.4898594 +1  120.0933939 +1     4     1    12
  H     1.02620360 +1  113.5409937 +1 -120.0165916 +1     5     1    10
  H     1.02664806 +1  113.3885950 +1 -119.8677664 +1     6     1     8
  H     1.02637395 +1  113.3282598 +1 -119.9605337 +1    17     1    19