Structure for 3,4-Diiodothiophene
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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.
|
| Computation date: |
2012-06-28
|
| Contributor(s): |
Katherine Hafner
|
| Computational method: |
B3LYP/GENECP
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-574.614933106 hartree
|
| Dipole moment: |
1.5860 debye
|
| Rotational constants: |
0.74554 GHz
0.48825 GHz
0.29504 GHz
|