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The preliminary analysis of the DFT calculations and the high-resolution Fourier transform spectrum of the Q 7 band of CD 3 NO 2 have been carried out for the first time. The rotational structure up to J = 10 have been fitted using Watson's A-reduction in I r representation with a standard deviation of 0.0048cm -1 . The rotational constants A, B, C have been obtained for the Q 7 state of CD 3 NO 2 with good statistical significance.