Gaussian output data for neutral proton sponges

This dataset contains Gaussian output files (.log.gz) corresponding to quantum-chemical calculations performed on neutral proton sponge systems investigated in the published study: Phosphazenyl Phosphine Proton Sponges: Does the Proton-Chelating Effect Enhance Their Basicity?, Int. J. Mol. Sci. 2025, 26, 5058, DOI: 10.3390/ijms26115058. The output files include the complete computational setup for each calculation, including the full route section, molecular input geometries, program version information, and all reported electronic and thermodynamic properties. Separate Gaussian input files are therefore not provided, as all necessary information to reconstruct each calculation is explicitly contained within the corresponding output file. The dataset represents part 1 of a three-part collection, with files grouped according to logical subsets of the studied systems. The complete collection is distributed across three Zenodo records due to file number limitations. The data are provided as raw computational outputs and are intended to support transparency, reproducibility, and reuse of the reported computational results.