PM7 Accuracy

difluorochloromethane   2424 Difluorochloromethane

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    #  Species Formula
  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
  2423 Chlorodifluoromethane (Geo)HCF2Cl
  2424 Difluorochloromethane HCF2Cl
  2425 NClF2NF2Cl
  2426 Chlorine trifluorideF3Cl
  2427 Chlorine trifluoride (Geo)F3Cl
  2428 TrifluorochloromethaneCF3Cl
  2429 ChlorotrifluoroetheneC2F3Cl
  2430 Chlorine pentafluorideF5Cl
  2431 Chlorine pentafluoride (Geo)F5Cl
  2432 ChloropentafluoroethaneC2F5Cl
  2433 ChloropentafluorobenzeneC6F5Cl
  2434 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl


DHf: -115.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 12.6 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
Difluorochloromethane
 H=-115.6 HR=C&P1970 I=12.6 IR=LLNBS82
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.12600573  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.77779169  1  110.2432941  1    0.0000000  0     2     1     0
  F     1.33297817  1  107.2887034  1  124.3614069  1     2     3     1
  F     1.33294482  1  107.3088764  1 -124.4146122  1     2     3     1