The equilibrium geometries and fundamental frequencies of Na S are calculated at HF, 2 Ž . Ž . Ž . MP2 FC, FU , and MP3 with the 6-31G d basis set and at HF and MP2 FC, FU with the Ž . Ž . Ž . 6-31G d basis set, respectively. The total energy at MP2 FU r6-31G d -optimized Ž . Ž . Ž . geometry is computed at MP4 with 6-311G d, p , 6-311qG d, p , and 6-311G 2 df, p , at Ž . Ž . Ž . QCISD T r6-311G d, p , and at MP2r6-311G 3df, 2 p levels, respectively. The dissociation energy, the atomization energy, and the heat of formation for Na S are 2 evaluated using the G1 and G2 models. The calculated results indicated that Na S in its
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