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

sulfur difluoride   2199 Sulfur difluoride

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2189 Li(I)O4N (BARVOF)H16LiC9NO4S
  2190 Li(I)O4N (BARVIZ) (Geo)H24LiC13NO4S
  2191 Li(I)O4N (BARVIZ)H24LiC13NO4S
  2192 LiHSO4.2H2O (corrected for PW91D error in H2SO4)H5LiO6S
  2193 LiHSO4.2H2O (Geo)H5LiO6S
  2194 Sulfur fluorideFS
  2195 SO2FO2FS
  2196 Fluorosulfonic acid (HOSO2F)HO3FS
  2197 Methyl fluorosulfate (Geo)CH3O3FS
  2198 Sulfur difluoride (Geo)F2S
  2199 Sulfur difluoride F2S
  2200 Thiocarbonyl difluoride (Geo)CF2S
  2201 Thiocarbonyl difluorideCF2S
  2202 Thionyl fluoride (Geo)OF2S
  2203 Thionyl fluorideOF2S
  2204 Sulfuryl fluoride (Geo)O2F2S
  2205 Sulfuryl fluorideO2F2S
  2206 Sulfur trifluorideF3S
  2207 SOF3OF3S
  2208 S-Ethyl trifluorothioacetic acidC4H5OF3S
  2209 Sulfur tetrafluoride (Geo)F4S


ΔHf: -70.9 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.0 Debye,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
I.P.: 10.2 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.
  
 SYMMETRY PM7
Sulfur difluoride
 I=10.2 H=-70.9 IR=LLNBS82 HR=JANAF86 D=1.05 DR=WHSMC03
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.57454645 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.57454645 +0   97.3266087 +1    0.0000000 +0     2     1     0