Use appropriate electronic structure software to perform calculations on H₂O and CO₂ with basis sets of your or your instructor’s choosing.

(a) Compute ground-state energies, equilibrium geometries and vibrational frequencies for each molecule.

(b) Compute the magnitude of the dipole moment of H₂O; the experimental value is 1.854 D.

(c) Compare computed values to experiment and suggest reasons for any discrepancies.