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

chlorine fluoride   2405 Chlorine fluoride

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    #  Species Formula
  2395 B3O3H2ClH2B3O3Cl
  2396 O4Cl(-)O4Cl
  2397 HOClO3 (Geo)HO4Cl
  2398 HOClO3HO4Cl
  2399 Li(I)O4Cl (CEJQIR) (Geo)H20LiC8O4Cl
  2400 Li(I)O4Cl (CEJQIR)H20LiC8O4Cl
  2401 Li(+)(H2O)5.ClH10LiO5Cl
  2402 Li(+)(H2O)5.Cl (Geo)H10LiO5Cl
  2403 Li(I)O6 (FIVTEK) (Geo)H20LiC8O8Cl
  2404 Li(I)O6 (FIVTEK) (corrected for ClO4(-) error in PW91D)H20LiC8O8Cl
  2405 Chlorine fluoride FCl
  2406 Chlorine fluoride (Geo)FCl
  2407 Hydrogen chloride fluoride, anionHFCl
  2408 Lithium chloride fluorideLi2FCl
  2409 Beryllium chloride fluorideBeFCl
  2410 FluorochloromethaneCH2FCl
  2411 OFClOFCl
  2412 Carbonyl fluoride chlorideCOFCl
  2413 Carbonyl chloride fluoride (Geo)COFCl
  2414 O2FClO2FCl
  2415 FClO2(-)O2FCl


ΔHf: -12.1 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: 0.9 Debye,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 12.0 eV,     REF: C. P. Anderson, G. Mamantov, W. E. Bull, F. A. Grimm, J. C. Carver, T. A. Carlson, Chem. Phys. Lett., 12, 137 (1971).
  
 PM7 PULAY
Chlorine fluoride
 I=12.02 HR=JANAF86 DR=CRC IR=A1971 D=0.88 H=-12.1 S=52.08 CP=7.67
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     1.60181939 +1    0.0000000 +0    0.0000000 +0     1     0     0