Accuracy

in(iii)c3 (trmein)   5411 In(III)C3 (TRMEIN)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  5401 [Cd(II)2(CN)7](3-) (Geo)C7N7Cd2
  5402 Indium (+++)In
  5403 Indium, dicationIn
  5404 Indium, cationIn
  5405 Indium, atomIn
  5406 Indium hydrideHIn
  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


ΔHf: 18.3 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.
  
 PM7
In(III)C3 (TRMEIN)
 H=18.3 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.15935508 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.15938007 +1  120.1318914 +1    0.0000000 +0     1     2     0
  C     2.15933079 +1  119.9987515 +1 -179.9741348 +1     1     2     3
  H     1.08751314 +1  110.7083431 +1  129.8309033 +1     2     1     3
  H     1.08782611 +1  110.3316324 +1  119.3880140 +1     2     1     5
  H     1.08690891 +1  111.4244485 +1  120.0889763 +1     2     1     6
  H     1.08741851 +1  110.8151369 +1 -134.6139246 +1     3     1     2
  H     1.08787446 +1  110.2610594 +1 -119.4230210 +1     3     1     8
  H     1.08695492 +1  111.3881794 +1 -119.9875649 +1     3     1     9
  H     1.08797716 +1  110.1355115 +1   92.4803886 +1     4     1     2
  H     1.08716042 +1  111.1030390 +1  119.6049920 +1     4     1    11
  H     1.08708501 +1  111.2481055 +1  120.6957599 +1     4     1    12