Structure for 1H-Phosphole,1-(1,1-dimethylethyl)-3,4-dimethyl-
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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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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: |
2012-08-06
|
| Contributor(s): |
Katherine Hafner
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-732.640198462 hartree
|
| Dipole moment: |
1.2954 debye
|
| Rotational constants: |
1.74990 GHz
0.61757 GHz
0.54835 GHz
|