When using the Hartree-Fock approximation with the 6-31G* basis set to optimise the geometry of the water molecule, how do your results compared with the experimental values reported in experimental values (bond distance 0.95718 Angstroms and bond angle 104.474 degrees)? Calculation slightly underestimates distance and slightly overestimate angle; Calculation underestimates both distance and angle; Calculation slightly overestimates distance and slightly underestimate angle; Calculation overestimates both distance and angle.

When using the Hartree-Fock approximation with the 6-31G* basis set to optimise the geometry of the water molecule, how do your results compared with the experimental values reported in experimental values (bond distance 0.95718 Angstroms and bond angle 104.474 degrees)? Calculation slightly underestimates distance and slightly overestimate angle; Calculation underestimates both distance and angle; Calculation slightly overestimates distance and slightly underestimate angle; Calculation overestimates both distance and angle.

Chemistry

10th Edition

ISBN:9781305957404

Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Chapter1: Chemical Foundations

Section: Chapter Questions

Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...

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