Accuracy

technetium(ii) tetrachloride 6a1   4987 Technetium(II) tetrachloride 6A1

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    #  Species Formula
  4977 Tc(V)S3OCl (AMOMOE)C4H8OS3ClTc
  4978 Tc(III)N4Cl2(+) (YOMRUN) (Geo)C8H12N4Cl2Tc
  4979 Tc(III)N4Cl2(+) (YOMRUN)C8H12N4Cl2Tc
  4980 Tc(II)N4Cl2 (ZOPWAC) (Geo)C20H20N4Cl2Tc
  4981 Tc(II)N4Cl2 (ZOPWAC)C20H20N4Cl2Tc
  4982 Tc(III)P4Cl2(+) (BAJDOF10) (Geo)C12H32P4Cl2Tc
  4983 Technetium(III) trichloride (Geo)Cl3Tc
  4984 Technetium(III) trichlorideCl3Tc
  4985 Tc(III)N3Cl3 (JEVMAY) (Geo)C18H21N3Cl3Tc
  4986 Tc(III)N3Cl3 (JEVMAY)C18H21N3Cl3Tc
  4987 Technetium(II) tetrachloride 6A1 Cl4Tc
  4988 Tc(V)Cl4O(-) (VAVVAP01) (Geo)OCl4Tc
  4989 Tc(V)Cl4O(-) (VAVVAP01)OCl4Tc
  4990 Tc(IV)Cl4P2 (LALGUA) (Geo)C6H18P2Cl4Tc
  4991 Tc(IV)S2Cl4 (WAJFOD) (Geo)C8H16S2Cl4Tc
  4992 Tc(IV)S2Cl4 (WAJFOD)C8H16S2Cl4Tc
  4993 Tc(IV)Cl6(2-) (CIMFEJ) (Geo)Cl6Tc
  4994 Tc(IV)Cl6(2-) (CIMFEJ)Cl6Tc
  4995 Technetium(I) bromide (Geo)BrTc
  4996 Technetium(I) bromideBrTc
  4997 Technetium(III) oxide bromide (Geo)OBrTc


For electronic state 1,6,A1
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 SHIFT=80 SYMMETRY OPEN(5,6) MECI ALLVECS CHARGE=-2 PULAY MS=1.5 PM7
Technetium(II) tetrachloride 6A1
 ROOT=1,6,A1 H=0 HR=GS
 
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Tc     2.50755001 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.50755001 +1  109.4712210 +1    0.0000000 +0     2     1     0
 Cl     2.50755001 +1  109.4712210 +1  120.0000000 +1     2     1     3
 Cl     2.50755001 +1  109.4712210 +1 -120.0000000 +1     2     1     3
 
   2  1    3    4    5