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Equilibrium structures and relative energies of nine–nine (seven open-chain and two cyclic) isomers of the [2C,2N, X] systems (X=O, S, Se) were determined by the CCSD(T) method. Harmonic and anharmonic vibrational wavenumbers, infrared and Raman intensities, and UV excitation energies were also computed to assist in the spectroscopic identification of these species. The isomers of the [2C, 2N, S]...
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