PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trans dimethylthiirane
2085 trans dimethylthiirane
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ΔHf: 0.9 kcal/mol, REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
PM7
trans dimethylthiirane
H=0.9 HR=MO1963
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.87477880 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.49372982 +1 66.4801715 +1 0.0000000 +0 1 2 0
C 1.49924320 +1 118.1618091 +1 -112.2427677 +1 1 2 3
C 1.49911259 +1 119.6540212 +1 110.3530331 +1 3 1 2
H 1.10110274 +1 114.6211802 +1 111.1598051 +1 1 2 3
H 1.10150190 +1 117.7683980 +1 -106.3002117 +1 3 1 2
H 1.09946264 +1 113.3977937 +1 40.1437073 +1 4 1 2
H 1.10052767 +1 110.8748889 +1 160.3203678 +1 4 1 2
H 1.10028895 +1 111.5931683 +1 -80.3660426 +1 4 1 2
H 1.09944888 +1 113.4041192 +1 -37.8447409 +1 5 3 1
H 1.10057197 +1 110.8539052 +1 82.3178803 +1 5 3 1
H 1.10032917 +1 111.6054775 +1 -158.3605151 +1 5 3 1