An experimentally-accurate and complete room-temperature infrared HCN line-list for the HITRAN database

A hydrogen cyanide line list (MOMeNT-90) developed for the HITRAN spectroscopic database covering 0–7500 cm−1 range (λ>1330 nm) is presented. The a combination of variationally calculated intensities with centers obtained from experimentally derived energy levels. There are four features this which distinguishes it previously ones. First, using new, high-accuracy potential surface (PES) via fitting PES experimental Second, new ab initio dipole moment was at high level quantum chemical theory. Based on wave functions and use surface, reported similar accuracy to those experimentally. Third, states mapped existing complete set eigenenergies, resulting in an assigned HCN down intensity threshold 10−34 cm/molecule. Fourth, extensive validation provided through line-by-line comparisons results measured spectra confirms used construct list. augmented parameters needed calculate widths pressure-dependent simulations.