The updated version enhances this data set by adding over 20,000 new molecules, improving the sampling of non-covalent interactions, and including a new subset of PubChem molecules containing boron and silicon, which were not present in the initial version. Additionally, several calculations from version 1 have been corrected and incorporated into this latest release. Computational Methodology: In the computation of energies and gradients (forces) for each conformation within the SPICE data set, Psi4 serves as the primary tool. The calculations employ DFT with the ωB97M-D3(BJ) functional and the def2-TZVPPD basis set . Beyond forces and energies, SPICE also encompasses additional properties such as dipole and quadrupole moments, atomic charges, and bond orders.