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The infrared spectra of molecular complexes containing chloroform (CHCl(3)) and Lewis bases (N(2), CO, H(2)O, and CH(3)CN) have been observed in an Ar matrix, and vibrational peaks for the 1:1 complexes have been assigned. The C-H stretching band of chloroform in the complexes showed a seamless transition from a blue shift (for N(2) and CO) to a red shift (H(2)O and CH(3)CN), in accord with the proton affinity of the base molecules. Density functional calculations predicted that the C-H··(σ-type lone pair) isomer is the most stable, which is consistent with the observed vibrational peak shift upon complex formation. The underlying mechanisms of the C-H hydrogen bond were explored using the topological properties of the electronic charge density and natural orbital analyses.