PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
clsscl
2555 ClSSCl
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ΔHf: -4.0 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.: 9.4 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
ClSSCl
H=-4.0 HR=JANAF86 I=9.4 IR=LLNBS82
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.03123529 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 1.87330585 +1 116.3109528 +1 0.0000000 +0 2 1 0
Cl 2.03123529 +0 116.3109528 +0 89.5341190 +1 3 2 1