Accuracy
sulfur dimer
2234 Sulfur dimer
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Geometry predicted using PM7
ΔHf: 30.8 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).
OPEN(2,2) TRIPLET PM7
Sulfur dimer
H=30.8 HR=JANAF86
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.82286175 +1 0.0000000 +0 0.0000000 +0 1 0 0