Gaussian Input Files (XYZ Coordinates) for 302 Polycyclic Aromatic Hydrocarbons (PAHs)

Note: This dataset is associated with a manuscript currently under peer review. Access is provided for review purposes only. Please cite the manuscript once it is published.Description: This compressed archive contains Gaussian input files in XYZ format for 302 polycyclic aromatic hydrocarbons (PAHs). These structures correspond to the PAHs analyzed in the associated dataset, PAH_Topological_Regions_Carcinogenicity_Data, presented in the accompanied manuscript.