Optimized Geometries of J- and H-aggregates derived from 2H, 3H tautomers and the Zn-complex of 2H tautomer of N-confused tetraphenylporphyrin

This dataset contains the output files (.xyz format) for optimized geomteries of the J- and H-aggregate dimers generated using GFN-xTB and DFT calculations. The aggregates dimers are assembled from the 2-H tautomer and 3H tautomers of N-confused tetraphenylporphyrin monomers. Aggregates derived from the Zn-complex of 2H tautomer are also included.