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The molecular structure of dimethyl-N-nitramine was reinvestigated with gas-phase electron diffraction (ED) and ab initio calculations. Ab initio calculations using different basis sets and HF, MP2 and DFT all predict a molecule with Cs symmetry and a pyramidal amine N bond configuration. The vibrational spectra were interpreted from the scaling of the harmonic force field, and vibrational amplitudes...
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