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 |
2477 |
2353 |
102.41 |
|
|
|
2 |
A1 |
1331 |
1264 |
253.76 |
|
|
|
3 |
A1 |
1198 |
1138 |
2.04 |
|
|
|
4 |
E |
2453 |
2331 |
152.33 |
|
|
|
4 |
E |
2453 |
2331 |
152.33 |
|
|
|
5 |
E |
1178 |
1120 |
50.15 |
|
|
|
5 |
E |
1178 |
1120 |
50.15 |
|
|
|
6 |
E |
894 |
850 |
42.21 |
|
|
|
6 |
E |
894 |
850 |
42.21 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7027.7 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 6678.5 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.