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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Repeat Prob. 15.57 for HCOOH using B3LYP/6-31G* calculations.
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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Quantum Chemistry

ISBN: 978-0321803450

7th edition

Authors: Ira N. Levine

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