PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
thionyl fluoride
2203 Thionyl fluoride
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ΔHf: -130.0 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.: 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
Thionyl fluoride
H=-130.0 HR=JANAF86 I=12.58 IR=LLNBS82
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.43766229 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.57257546 +1 107.1856723 +1 0.0000000 +0 1 2 0
F 1.57258249 +1 107.1606199 +1 97.2370369 +1 1 2 3