PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sulfuryl fluoride
2205 Sulfuryl fluoride
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ΔHf: -181.3 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.: 13.0 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
Sulfuryl fluoride
H=-181.3 HR=JANAF86 I=13.04 IR=LLNBS82 S=67.88 CP=15.77
XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 2.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0
S 2.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
F 1.53092119 +1 132.1223375 +1 0.0000000 +0 3 2 1
F 1.53092119 +0 132.1223375 +0 180.0000000 +0 3 2 1
O 1.41737978 +1 62.3411428 +1 90.0000000 +0 3 2 1
O 1.41737978 +0 62.3411428 +0 -90.0000000 +0 3 2 1