Structure for 2,10-dimethylphenanthrene
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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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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: |
2015-07-02
|
| Contributor(s): |
Daniel Graham
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision D.01
|
| Electronic energy: |
-618.174049907 hartree
|
| Dipole moment: |
0.6869 debye
|
| Rotational constants: |
1.04243 GHz
0.39086 GHz
0.28528 GHz
|