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' |
1867 |
1774 |
214.76 |
|
|
|
2 |
A' |
1818 |
1727 |
253.32 |
|
|
|
3 |
A' |
1328 |
1262 |
321.18 |
|
|
|
4 |
A' |
795 |
756 |
124.09 |
|
|
|
5 |
A' |
639 |
607 |
0.87 |
|
|
|
6 |
A' |
301 |
286 |
3.07 |
|
|
|
7 |
A' |
189 |
179 |
0.29 |
|
|
|
8 |
A" |
443 |
420 |
3.95 |
|
|
|
9 |
A" |
173 |
164 |
0.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3775.9 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3587.8 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.