Supporting data for 'X-ray structure of eleven new N,N'-substituted guanidines: effect of substituents on tautomer structure in the solid state'

A repository with optimized geometries for N,N'-substituted guanidines in xyz-format. The molecular geometries were optimized with the PySCF software using density functional theory. It has been tested that the files can be read by the open-source software Avogadro. For more details regarding the molecules and the calculations, see the published paper.