The PubChemQC database is a valuable asset for computational chemistry research, especially in material development, drug design, and ML applications. It contains electronic structures for a vast number of molecules, including approximately 3 million molecules optimized using DFT at the B3LYP/6-31G* level in ground states and over 2 million molecules with low-lying excited states calculated via TD-DFT at B3LYP/6-31+G*.