Supplemental Material
dataset
posted on 2024-10-15, 12:06 authored by Sahar Hafizi Yazdabadi, Dmytro Mihrin, Karen feilbergProvided in the electronic supplementary material are the computational results obtained from the ORCA quantum chemical package containing the optimized potential energy minima geometries (in the form of molecular Cartesian coordinates), harmonic and the VPT2-based anharmonic vibrational frequency tables.
