Structure for Benzeneacetic acid, 4-hydroxy-, methyl ester
Notes
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IR frequencies derived from structure calulation
IR frequencies derived from the computation which produced the structure are shown in the plot below. These data are not adjusted for any expected biases in the computational method.
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Note: Numeric values for the IR frequencies are avialable in the SD file.
Additional information about this structure
Owner: | Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Computation date: | 2015-07-01 |
Contributor(s): | Ashley Zhang |
Computational method: | B3LYP/6-31G* |
Computational software: | Gaussian 09, Revision D.01 |
Electronic energy: | -574.653353930 hartree |
Dipole moment: | 0.5109 debye |
Rotational constants: | 2.26906 GHz 0.44034 GHz 0.42148 GHz |