PM7 Accuracy

fluorochloromethane   2412 Fluorochloromethane

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    #  Species Formula
  2402 Li(I)O4Cl (CEJQIR)H20LiC8O4Cl
  2403 Li(+)(H2O)5.ClH10LiO5Cl
  2404 Li(+)(H2O)5.Cl (Geo)H10LiO5Cl
  2405 Li(I)O6 (FIVTEK) (Geo)H20LiC8O8Cl
  2406 Li(I)O6 (FIVTEK) (corrected for ClO4(-) error in PW91D)H20LiC8O8Cl
  2407 Chlorine fluorideFCl
  2408 Chlorine fluoride (Geo)FCl
  2409 Hydrogen chloride fluoride, anionHFCl
  2410 Lithium chloride fluorideLi2FCl
  2411 Beryllium chloride fluorideBeFCl
  2412 Fluorochloromethane CH2FCl
  2413 OFClOFCl
  2414 Carbonyl fluoride chlorideCOFCl
  2415 Carbonyl chloride fluoride (Geo)COFCl
  2416 O2FClO2FCl
  2417 FClO2(-)O2FCl
  2418 ClO3F (Geo)O3FCl
  2419 Perchloryl fluorideO3FCl
  2420 ClF2F2Cl
  2421 BClF2 (Geo)BF2Cl
  2422 ChlorodifluorboraneBF2Cl


DHf: -62.6 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).
I.P.: 11.7 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
Fluorochloromethane
 H=-62.6 HR=JANAF86 I=11.74 IR=LLNBS82
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.11060141  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.11060141  0  112.9673154  1    0.0000000  0     2     1     0
 Cl     1.78080625  1  107.7736862  1 -118.7298658  1     2     1     3
  F     1.34394031  1  111.0809193  1  125.6909349  1     2     1     3
 
   2  1    3