PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
difluorochloromethane
2422 Difluorochloromethane
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ΔHf: -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