Accuracy

carbonyl fluoride chloride   2411 Carbonyl fluoride chloride

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

    

    #  Species Formula
  2401 Li(+)(H2O)5.Cl (Geo)H10LiO5Cl
  2402 Li(I)O6 (FIVTEK) (Geo)H20LiC8O8Cl
  2403 Li(I)O6 (FIVTEK) (corrected for ClO4(-) error in PW91D)H20LiC8O8Cl
  2404 Chlorine fluorideFCl
  2405 Chlorine fluoride (Geo)FCl
  2406 Hydrogen chloride fluoride, anionHFCl
  2407 Lithium chloride fluorideLi2FCl
  2408 Beryllium chloride fluorideBeFCl
  2409 FluorochloromethaneCH2FCl
  2410 OFClOFCl
  2411 Carbonyl fluoride chloride COFCl
  2412 Carbonyl chloride fluoride (Geo)COFCl
  2413 O2FClO2FCl
  2414 FClO2(-)O2FCl
  2415 ClO3F (Geo)O3FCl
  2416 Perchloryl fluorideO3FCl
  2417 ClF2F2Cl
  2418 BClF2 (Geo)BF2Cl
  2419 ChlorodifluorboraneBF2Cl
  2420 Chlorodifluoromethane (Geo)HCF2Cl
  2421 DifluorochloromethaneHCF2Cl


ΔHf: -102.0 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).
  
 PM7
Carbonyl fluoride chloride
 H=-102.0 HR=JANAF86
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.18179118 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.31644337 +1  123.2151716 +1    0.0000000 +0     2     1     0
 Cl     1.71955115 +1  126.6143299 +1  180.0000000 +0     2     1     3