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Calculations of ZPVE-exclusive energy, Gibbs free energy, and enthalpy changes in the Diels–Alder reaction of cyclopentadiene and maleimide forming the corresponding endo product with AIQM1 and B3LYPG/6-31G* (from the interface to PySCF; “G” in B3LYPG means that we use the B3LYP variant according to the Gaussian program convention). The reference reaction energy is from the GMTKN55 set.93
