A coupled-cluster study of the enthalpy of formation of nitrogen sulfide, NS

The energy of NS was computed via CCSD(T) theory, together with extrapolation to the complete basis set limit and corrections for anharmonic zero-point energy, scalar and vector relativistic terms, and core–valence electron correlation. The results were employed with three working reactions to find ΔfH0(NS)=277.3±2 kJ mol−1 and ΔfH298(NS)=278.0±2 kJ mol−1. This thermochemistry is consistent with, but much more precise than, earlier literature values.