Molecular hydration of carbonic acid (H2CO3) is investigated in terms of bonding patterns in H2CO3···(H2O)n [n = 1-4] hydrogen-bonded clusters within ab initio quantum chemical and density functional theory (DFT) frameworks. Successive addition of water molecules to H2CO3···H2O entails elongation of O-H (hydroxyl) bond as well as contraction of speci?c intermolecular hydrogen bonds signifying hydration of carbonic acid; these structural features get markedly enhanced under the continuum solvation framework. A comparison between the structurally similar clusters H2CO3···(H2O)n and HCOOH···(H2O)n [n =1-3] brings out the structural stability of the former. The present investigation in conjunction with the binding energy behavior of approaching water molecule(s) should serve as a precursor for pathways exploring aqueous dissociation of H2CO3 for larger clusters, as well as development of force-?eld potentials for acid dissociation process.