For the HF molecule, run the following calculations to find the predicted bond length, (unscaled) harmonic vibrational

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For the HF molecule, run the following calculations to find the predicted bond length, (unscaled) harmonic vibrational frequency, dipole moment, and electronic energy including nuclear repulsion. Also, if your program calculates these, give the predicted values of the thermodynamic quantities Uo298 - Uo0 and So298.
(a) CCSD(FC)/6-31G*;
(b) CCSD(T)(FC)/6-31G*. You can run these on the Internet using the WebMO Demo Server.
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Quantum Chemistry

ISBN: 978-0321803450

7th edition

Authors: Ira N. Levine

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