Repeat Prob. 15.57 for HCOOH using B3LYP/6-31G* calculations. In Prob. 15.57 Do HF/6-31G* geometry optimizations on two
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In Prob. 15.57
Do HF/6-31G* geometry optimizations on two conformers of HCOOH, one with OCOH dihedral angle of 0o and one with 180o. Compare the predicted geometries and the dipole moments of the two conformers. What is the predicted energy difference at 0 K omitting zero-point energy?
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Figures and Zmatrixes for the two conformers are given in Prob 1557 The B3LYP631G geom...View the full answer
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