Frequency Calculations on a Smaller System (high level vs. ONIOM)
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The aim of this page is to compare the results of a series of frequency calculations on a small system between a high level method and ONIOM. We chose as our small system (it being the subject of a previous discussion: https://www.ch.ic.ac.uk/wiki/index.php/First_steps_with_ONIOM_:_excited_state_of_Bicyclo%2810%2C2%2C2%29Hexadeca-1%2815%29%2C12%2816%2913-triene), the high level method and basis set as b3lyp/6-31g(d), and the ONIOM layers as b3lyp/6-31g(d):amber.
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