Accuracy

Tc(V)Cl4O(-) (VAVVAP01)   4989 Tc(V)Cl4O(-) (VAVVAP01)

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    #  Species Formula
  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 6A1Cl4Tc
  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
  4998 Technetium(III) oxide bromideOBrTc
  4999 Tc(CO)5BrC5O5BrTc


ΔHf: -182.1 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.
  
 UHF CHARGE=-1 PULAY PM7
Tc(V)Cl4O(-) (VAVVAP01)
 H=-182.1 HR=PW91D
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.64124940 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.32538504 +1  109.5287322 +1    0.0000000 +0     1     2     0
 Cl     2.32533386 +1  109.5002151 +1   89.9832772 +1     1     2     3
 Cl     2.32547006 +1  109.4924003 +1   89.9933707 +1     1     2     4
 Cl     2.32551419 +1  109.5259441 +1   89.9881019 +1     1     2     5