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The geometries, bondings, and vibrational frequencies of C2nH (n=3-9) and C2n-1N(n=3-9) were investigated by means of density functional theory(DFT). The vertical excitation energies for the X2Π→2Π transitions of C2nH(n=3-9) and for the X2Σ→2Π and the X2Π