Structure for 1,3-Dioxolane
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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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The following components were used in generating the plot:
- jQuery
- jQuery UI
- Flot
- Plugins for Flot:
- Resize (distributed with Flot)
- Selection (distributed with Flot)
- Axis labels
Additonal code used was developed at NIST: plot-data.js.
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.
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: | 2015-07-02 |
Contributor(s): | Ashley Zhang |
Computational method: | B3LYP/6-31G* |
Computational software: | Gaussian 09, Revision D.01 |
Electronic energy: | -268.344086628 hartree |
Dipole moment: | 1.2024 debye |
Rotational constants: | 7.76031 GHz 7.58344 GHz 4.27996 GHz |