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As a result, the predicted spectra from our design come in great agreement with experimental information, in addition to using the results of several other theoretical techniques.We have performed a quantum biochemistry research from the bonding patterns and communication energies for 31 dimers of little organic functional teams (dubbed the SOFG-31 dataset), like the alkane-alkene-alkyne (6 + 4 + 4 = 14, AAA) teams, alcohol-aldehyde-ketone (4 + 4 + 3 = 11, AAK