Accuracy

scandium trifluoride   2839 Scandium trifluoride

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    #  Species Formula
  2829 Sc(III)O8 (SEZFOS) (Geo)H4N3O11Sc
  2830 Sc(III)O8 (SEZFOS)H4N3O11Sc
  2831 Sc(III)O9 (JAKVOG) (Geo)H6N3O12Sc
  2832 Sc(III)O9 (JAKVOG)H6N3O12Sc
  2833 Sc(III)O6(+) (YECNEZ) (Geo)C12H12N6O18Sc
  2834 Scandium fluorideFSc
  2835 Scandium(I) fluorideFSc
  2836 Scandium(I) fluoride (Geo)FSc
  2837 Scandium(III) oxide fluorideOFSc
  2838 Scandium(III) oxide fluoride (Geo)OFSc
  2839 Scandium trifluoride F3Sc
  2840 Scandium(III) trifluoride (Geo)F3Sc
  2841 Scandium(III) tetrafluorideF4Sc
  2842 Scandium(II) tetrafluoride 2EF4Sc
  2843 Scandium(II) hexafluorideF6Sc
  2844 Scandium(II) hexafluoride 2T2gF6Sc
  2845 Dimethyl scandium(III) thiol (Geo)C2H7SSc
  2846 Sc(III)N6(3-) (BUQMOP) (Geo)C6N6S6Sc
  2847 Sc(III)N6(3-) (BUQMOP)C6N6S6Sc
  2848 Scandium(I) chlorideClSc
  2849 Scandium(I) chloride (Geo)ClSc


ΔHf: -304.4 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.
  
 SYMMETRY PM7
Scandium trifluoride
 H=-304.42 HR=PW91D
 
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sc     2.01463257 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.01463257 +1  120.0000000 +1    0.0000000 +0     2     1     0
  F     2.01463257 +1  120.0000000 +1  180.0000000 +1     2     1     3
 
   2  1    3    4