The ddX interface with Psi4 was tested by comparing between using ddX and using PCMSolver 89 , which we use as a reference. As a test molecule, we choose the dye nile red. This molecule presents a large solvatochromic red-shift and is of medium size (with 42 atoms) which makes it an interesting test case for continuum solvation models. First, we optimized the ground state geometry of nile red using the MP2 method with a cc-pVDZ basis set. The optimized ground state geometry was then used to run both MP2 calculations and TDDFT calculations. In this case, continuum solvation was enabled and the calculations were repeated in three different solvents, water (wat, ε s = 80.1, ε ∞ = 1.777), acetonitrile (acn, ε s = 37.5, ε ∞ = 1.807), and cyclohexane (cyhex, ε s = 2.02, ε ∞ = 2.034).