Vibrational infrared and Raman spectrum of HCOOH from variational computations

Gustavo Avila, Alberto Martín Santa Daría, Edit Mátyus

All vibrational energies of the (trans-, cis-, delocalized-) formic acid molecule are converged up to 4500 cm${}^{-1}$ beyond the zero-point vibrational energy with the GENIUSH-Smoly…