PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fluorochloromethane
2410 Fluorochloromethane
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ΔHf: -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