PM7 Accuracy

1,2-dibromotetrafluoroethane   4297 1,2-Dibromotetrafluoroethane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  4287 Li(I)2Br2N4 (SAJVEE01)C12H32Li2N4Br2
  4288 Carbonyl bromideCOBr2
  4289 Carbonyl bromide (Geo)COBr2
  4290 1,2-Dibromocyclobutene-3,4-dione (Geo)C4O2Br2
  4291 Be(II)O2Br2 (QQQDPY01) (Geo)H20BeC8O2Br2
  4292 Be(II)O2Br2 (QQQDPY01)H20BeC8O2Br2
  4293 Li(I)2Br2O4 (DECXEO01) (Geo)C12H24Li2O4Br2
  4294 Li(I)2Br2O4 (DECXEO01)C12H24Li2O4Br2
  4295 DibromofluoroboraneBFBr2
  4296 DifluorodibromomethaneCF2Br2
  4297 1,2-Dibromotetrafluoroethane C2F4Br2
  4298 Sodium bromide, dimer (Geo)Na2Br2
  4299 Sodium bromide, dimerNa2Br2
  4300 Magnesium dibromideMgBr2
  4301 Magnesium dibromide (Geo)MgBr2
  4302 Mg(II)O2Br2 (MGBEET) (Geo)C8H20O2MgBr2
  4303 Mg(II)O2Br2 (MGBEET)C8H20O2MgBr2
  4304 Mg(II)O5Br2 (GUPJAC) (Geo)C10H22O5MgBr2
  4305 Mg(II)O5Br2 (GUPJAC)C10H22O5MgBr2
  4306 Silicon dibromideSiBr2
  4307 DibromosilaneH2SiBr2


DHf: -189.0 kcal/mol,     REF: Natl. Bur. Stand. Selected Values of Chemical and Thermodynamic Properties, Rossini, 1st Feb. (1952).
I.P.: 11.4 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
1,2-Dibromotetrafluoroethane
 H=-189 I=11.44 IR=LLNBS82 HR=NBS1952
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55838892  1    0.0000000  0    0.0000000  0     1     0     0
 Br     1.94542317  1  113.1104507  1    0.0000000  0     2     1     0
  F     1.32829043  1  110.6439294  1  122.1130485  1     2     1     3
  F     1.32841487  1  110.6015639  1 -122.0954420  1     2     1     3
  F     1.32839511  1  110.6348451  1  -57.6495814  1     1     2     3
 Br     1.94545142  1  113.0942204  1   64.3764539  1     1     2     3
  F     1.32813873  1  110.6400774  1 -173.4307366  1     1     2     3