The expanded porphyrins have become a useful tool to synthesize new Hückel-to-Möbius topological switches. Only applying small changes in the external conditions (temperature, solvent, redox potenti
These files are provided in support of the use case in a recent manuscript showing the use of the Python package GoodVibes. This data set contains Gaussian optimization and frequency calculations on
2001 geometries of (10-phenylacridin-9(10H)-ylidene)malononitrile in xyz format and reference TDDFT (ωB97XD/def2-SVP) values for 30 excitation energies and oscillator strengths at each geometry. Geome
