Structure for Butane, decafluoro-
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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: |
2012-08-10
|
| Contributor(s): |
Alexander Yang
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-1150.81393070 hartree
|
| Dipole moment: |
0.0263 debye
|
| Rotational constants: |
1.25121 GHz
0.51429 GHz
0.49673 GHz
|