Computational Methodology: To generate the QM9-G4MP2 data set, the geometries of all QM9 molecules underwent reoptimization using the B3LYP/6-31G(2df,p) level theory, followed by single-point energy calculations employing CCSD(T,FC)/6-31G(d), MP2(FC)/G3MP2largeXP, RHF/modaug-cc-pVTZ, and RHF/mod-aug-cc-pVQZ methods. These calculations were executed using the Gaussian 16 package (version A.03) utilized in the original QM9. Additionally, to derive accurate atomization energies, G4MP2 calculations were performed for individual atoms of H, C, N, O, and F, maintaining identical charge and spin multiplicity as those within the QM9 molecules. Note that these calculations were conducted in varying computational environments and with Gaussian 16 instead of Gaussian 09 employed in QM9.