The supplementary material contains absorption data comparison using different functionals with the experimental provided data for : D-π-A-π-D framework containing molecules along with values of μ, αav, βtotal and βvec, obtained using the ω*B97XD tuned functional and 6-31g* basis set, HOMO-LUMO energies of the PPAB molecules in different solvents with varying polarity and the electron density images of the molecules. (PDF)