Computational Methodology: The creation of bigQM7ω involved a detailed, multi-step process. Initially, SMILES strings for all molecules were extracted from the GDB-11 data set. These SMILES strings were then converted into initial structures using the UFF. Geometry optimization was performed using a three-tier connectivity preserving geometry optimizations (ConnGO) workflow, ensuring structurally sound geometries and mitigating rearrangement issues during high-throughput calculations. Tight convergence criteria and basis sets def2-SVP and def2-TZVP were employed for ωB97X-D DFT optimizations. For excited state calculations, various methods were used: ZINDO calculations were performed at PM6 minimum energy geometries, and TDDFT calculations were carried out with 3-21G, def2-SVP, def2-TZVP, and def2-SVPD basis sets. Harmonic frequency analysis confirmed local minima for optimized geometries. Three molecules failing the ConnGO connectivity test were excluded due to a substructure prone to dissociation. All calculations were executed using the Gaussian suite of programs.