Vibrational and Internal Rotational Modes of CF3OCF3


Level of Theory : BLYPdDFT/6-31G(d,p)


Scale Factor : 0.994


Frequency unit : 1/cm

 


1                     -511.0
Scaled : -508.0
2                     23.9
Scaled : 23.7
3                     39.6
Scaled : 39.3

4                     225.4
Scaled : 224.0
5                     262.8
Scaled : 261.3
6                     285.7
Scaled : 283.9

7                     321.8
Scaled : 319.9
8                     376.5
Scaled : 374.3
9                     437.8
Scaled : 435.2

10                     550.0
Scaled : 546.7
11                     551.8
Scaled : 548.5
12                     567.4
Scaled : 564.0

13                     584.4
Scaled : 580.9
14                     654.9
Scaled : 651.0
15                     727.8
Scaled : 723.4

16                     898.7
Scaled : 893.3
17                     938.1
Scaled : 932.5
18                     1135.8
Scaled : 1129.0

19                     1253.5
Scaled : 1246.0
20                     1379.5
Scaled : 1371.2
21                     1495.4
Scaled : 1486.4

These movies were created by Bangwu Jiang and David Keffer in the Department of Chemical Engineering at the University of Tennessee, using a combination of Gaussian98 and home-made codes. Please do not reproduce them without our consent. We can be reached via email at dkeffer@utk.edu.