Experimental and ab Initio Equilibrium Structure and Harmonic Force Field of 1,2,5-Oxadiazole
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The equilibrium structure of 1,2,5-oxadiazole has been calculated ab initio at the CCSD(T) level using a polarized valence quadruple zeta basis set. The harmonic force field has also been calculated at the MP2/cc-pVTZ, B3LYP/6-311++G(3df, 2pd), and B3LYP/cc-pV... ...
