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

inme3r   5414 Trimethyl indium (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5404 Indium (+++)In
  5405 Indium, dicationIn
  5406 Indium, cationIn
  5407 Indium, atomIn
  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)6H18N6In
  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


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
Trimethyl indium
 <In-C> GR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.21385700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.15773272 +1  119.8841010 +1    0.0000000 +0     1     2     0
  C     2.15770247 +1  119.8741709 +1  179.0784164 +1     1     2     3
  H     1.08382532 +1  110.5291730 +1  152.1985522 +1     2     1     3
  H     1.08474984 +1  109.3963194 +1  119.6669730 +1     2     1     5
  H     1.08388463 +1  110.4916143 +1  119.6232890 +1     2     1     6
  H     1.08868699 +1  110.0340355 +1   88.9174552 +1     3     1     2
  H     1.08756816 +1  111.2692027 +1  119.6280826 +1     3     1     8
  H     1.08768479 +1  111.2185465 +1  120.7904656 +1     3     1     9
  H     1.08757756 +1  111.2708367 +1  151.8285437 +1     4     1     2
  H     1.08866571 +1  110.0386031 +1  119.6319300 +1     4     1    11
  H     1.08766350 +1  111.2204681 +1  119.5743288 +1     4     1    12