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3) structures and energies reported in Tables 2, 3, and 4 and in Figures 1 and 3 were optimized with constraints on the d(C-Si-O-O) = 120° and d(H-C-Si-C) = 60° dihedral angles. When the structures were further optimized by relaxing the constraints, the 3-21G and 6-31G* energies were lowered by 2 and 1 kcal/mol, respectively. The fully-optimized coordinates are reported in Table 1.
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