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

tccl3r   4985 Technetium(III) trichloride (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  4975 Tc(V)N2O3Cl (DAGSOT)C17H16N2O3ClTc
  4976 Tc(CO)5ClC5O5ClTc
  4977 Tc(CO)5Cl (Geo)C5O5ClTc
  4978 Tc(V)S3OCl (AMOMOE) (Geo)C4H8OS3ClTc
  4979 Tc(V)S3OCl (AMOMOE)C4H8OS3ClTc
  4980 Tc(III)N4Cl2(+) (YOMRUN) (Geo)C8H12N4Cl2Tc
  4981 Tc(III)N4Cl2(+) (YOMRUN)C8H12N4Cl2Tc
  4982 Tc(II)N4Cl2 (ZOPWAC) (Geo)C20H20N4Cl2Tc
  4983 Tc(II)N4Cl2 (ZOPWAC)C20H20N4Cl2Tc
  4984 Tc(III)P4Cl2(+) (BAJDOF10) (Geo)C12H32P4Cl2Tc
  4985 Technetium(III) trichloride (Geo) Cl3Tc
  4986 Technetium(III) trichlorideCl3Tc
  4987 Tc(III)N3Cl3 (JEVMAY) (Geo)C18H21N3Cl3Tc
  4988 Tc(III)N3Cl3 (JEVMAY)C18H21N3Cl3Tc
  4989 Technetium(II) tetrachloride 6A1Cl4Tc
  4990 Tc(V)Cl4O(-) (VAVVAP01) (Geo)OCl4Tc
  4991 Tc(V)Cl4O(-) (VAVVAP01)OCl4Tc
  4992 Tc(IV)Cl4P2 (LALGUA) (Geo)C6H18P2Cl4Tc
  4993 Tc(IV)S2Cl4 (WAJFOD) (Geo)C8H16S2Cl4Tc
  4994 Tc(IV)S2Cl4 (WAJFOD)C8H16S2Cl4Tc
  4995 Tc(IV)Cl6(2-) (CIMFEJ) (Geo)Cl6Tc


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
Technetium(III) trichloride
 <Tc-Cl> GR=PW91D
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.27791600 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.27701639 +1  126.5582858 +1    0.0000000 +0     1     2     0
 Cl     2.27707941 +1  126.5616771 +1  179.5202989 +1     1     2     3