Structure for Phenol, 3,4,5-trimethoxy-
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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
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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.
|
| Computation date: |
2012-08-03
|
| Contributor(s): |
Jeffrey Qiu
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-651.016493377 hartree
|
| Dipole moment: |
1.7247 debye
|
| Rotational constants: |
0.87869 GHz
0.78159 GHz
0.46732 GHz
|