(a) For CO2, use SVWN/6-31G, BLYP/6-31G, and B3LYP/6-31G* calculations to predict the equilibrium geometry, vibrational frequencies, and...

Question:

(a) For CO2, use SVWN/6-31G*, BLYP/6-31G*, and B3LYP/6-31G* calculations to predict the equilibrium geometry, vibrational frequencies, and atomization energy. Do not scale the vibrational frequencies. Compare the results and the computational times with HF/6-31G* calculations (Prob. 15.40).
(b) Repeat (a) for H2O.