In this work, we assume isotropic polarizations truncated at dipole level. So, the atomic dipole polarizability 𝛼 𝑖 is a scalar obtained via distributing the TD-DFT charge density susceptibility matrix to atoms using ISA-pol method. Thole damping is introduced to avoid the polarization catastrophe at short distance. All the electrostatic interactions within water molecule (including the induced dipole -induced dipole interactions) are turned off to avoid double counting (as the TD-DFT charge density susceptibility matrix already accounts for the intramolecular nonlocal responses).