Accuracy

in(iii)c2(plus) (dminbr)   5409 In(III)C2(+) (DMINBR)

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

    

    #  Species Formula
  5399 Cd(II)Br4(=) (Geo)Br4Cd
  5400 [Cd(II)2(CN)7](3-)C7N7Cd2
  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


ΔHf: 183.0 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=1 PM7
In(III)C2(+) (DMINBR)
 H=183.0 HR=PW91D
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.10011364 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     4.28511260 +1  110.9530286 +1    0.0000000 +0     2     1     0
 In     2.14199978 +1  111.5086810 +1    0.2358858 +1     2     1     3
  H     1.09966051 +1  107.1934823 +1  122.9055493 +1     2     1     4
  H     1.10003000 +1  107.0710435 +1  114.5977874 +1     2     1     5
  H     1.09981793 +1  110.8988393 +1    0.2598312 +1     3     2     1
  H     1.09958431 +1  112.1150202 +1  119.8295722 +1     3     2     7
  H     1.09965427 +1  111.9202840 +1  120.4766685 +1     3     2     8