Abstract
B3LYP/6-31G ∗∗ structure, energy, and vibrational frequencies have been calculated for the molecule C 18H 12O 12. The molecule has two cages and D 6h symmetry. Two cages containing oxygen atoms and sharing the same pentagon of carbon atoms fuse the molecule. Heat of formation of the molecule has been estimated here. Vibrational analysis as well as heat of formation indicates that the molecule enjoys sufficient stability to allow for its experimental preparation. Synthetic route of the molecule has been proposed in current work.
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