PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cis dimethylthiirane
2083 cis Dimethylthiirane
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ΔHf: 2.7 kcal/mol, REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
PM7
cis Dimethylthiirane
H=2.7 HR=MO1963
C -0.02804318 +1 0.00637785 +1 0.01259268 +1
S 1.84284949 +1 0.00255904 +1 -0.10883641 +1
C 0.57203228 +1 1.37642406 +1 0.00156106 +1
C -0.66769331 +1 -0.57323827 +1 1.23714024 +1
C 0.57600069 +1 2.25575721 +1 1.21525142 +1
H -0.53748182 +1 -0.31668800 +1 -0.91143892 +1
H 0.45616306 +1 1.95779456 +1 -0.92871731 +1
H -0.19079011 +1 -0.25559589 +1 2.17478217 +1
H -1.72637621 +1 -0.27972383 +1 1.30272464 +1
H -0.63631854 +1 -1.67377307 +1 1.22479419 +1
H 0.66793001 +1 1.70133544 +1 2.15997746 +1
H 1.40986463 +1 2.97424278 +1 1.18908868 +1
H -0.35407538 +1 2.84103946 +1 1.27905681 +1