Supplementary Material
dataset
posted on 2024-12-12, 13:04 authored by Haoyue Sun, Lynn Ferres, Isabelle Kleiner, Ha Vinh Lam NguyenNuclear Cartesian coordinates, basis set variation, Fourier coefficients of the potential curves and the 2D-PES, potential energy surface calculated at the MP2/6-311++G(d,p) level of theory, and frequency list
