Vibrational Frequencies calculated at MP2/6-311G*
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A' |
3165 |
3008 |
35.56 |
|
|
|
2 |
A' |
1884 |
1790 |
234.03 |
|
|
|
3 |
A' |
1413 |
1342 |
1.12 |
|
|
|
4 |
A' |
1093 |
1039 |
262.14 |
|
|
|
5 |
A' |
672 |
639 |
21.92 |
|
|
|
6 |
A" |
1044 |
992 |
0.06 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4635.1 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 4404.7 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.