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 |
A1 |
1441 |
1369 |
231.34 |
|
|
|
2 |
A1 |
855 |
812 |
49.78 |
|
|
|
3 |
A1 |
475 |
452 |
44.18 |
|
|
|
4 |
E |
974 |
925 |
253.34 |
|
|
|
4 |
E |
974 |
925 |
253.34 |
|
|
|
5 |
E |
460 |
437 |
50.63 |
|
|
|
5 |
E |
460 |
437 |
50.63 |
|
|
|
6 |
E |
329 |
312 |
0.58 |
|
|
|
6 |
E |
329 |
312 |
0.58 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3147.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2991.0 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.