Accuracy
sulfuryl chloride
2551 Sulfuryl chloride
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Geometry predicted using PM7
ΔHf: -86.2 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.: 12.4 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 chloride
H=-86.2 HR=JANAF86 I=12.4 IR=LLNBS82 S=74.55 CP=18.40
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
Cl 2.03700452 +1 130.2430207 +1 0.0000000 +0 3 2 1
Cl 2.03700452 +0 130.2430207 +0 180.0000000 +0 3 2 1
O 1.41834453 +1 61.9474001 +1 90.0000000 +0 3 2 1
O 1.41834453 +0 61.9474001 +0 -90.0000000 +0 3 2 1
4 1 5
4 2 5
6 1 7
6 2 7