Replication Data for: Measurements of infrared absorption cross-sections for chloroiodomethane and 2-iodopropane from 305 to 340 K

This dataset includes the infrared absorption cross-section measurements used in 'Measurements of infrared absorption cross-sections for chloroiodomethane and 2-iodopropane from 305 to 340 K' by Ishtiak et al. (submitted, 2025). The dataset includes: (1) the absorption cross-sections for chloroiodomethane (CH2ICl), labeled as CH2ICl; (2) the absorption cross-sections for 2-iodopropane ((CH3)2CHI), labeled as (CH3)2CHI. Three absorption cross-sections are provided for each compound, labeled by the sample temperature from 300 to 340 K. All measurements were made using an ABB Bomem DA8 Fourier Transform InfraRed (FTIR) spectrometer. These cross-section files have an uncertainty at 2 standard deviations. The dataset also includes density functional theory geometries and unscaled and scaled frequencies for all conformers of chloroiodomethane and 2-iodopropane. These calculations use four density functionals, B3LYP, ωB97X, B2PLYP, and DSD-BLYP with and without the D3 dispersion correction across three basis sets: def2-SVP, def2-TZVPPD, and def2-QZVPPD.