The presence of water molecules induces a red shift of approximately 400 cm -1 in the O-H stretching peak at the QM/MM level, reflecting a reduction in the potential energy surface curvature along the O-H mode. Although subtle, this shift is captured by our ML/MM implementation. The agreement is semi-quantitative, showing a ∼300 cm -1 red shift, but it surpasses the performance of the ML/MM (ME) level. As expected and consistently with the force field force constant, the full MM simulations exhibit the O-H stretching peak around ∼3000 cm -1 for both the isolated and solvated cases. The red shift observed in the aqueous environment is captured at the QM/MM and ML/MM levels, with differences in accuracy between embedding methods.