Vibrational Frequencies calculated at MP2/6-31G**
| 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 |
3345 |
3133 |
9.48 |
|
|
|
| 2 |
A1 |
1806 |
1692 |
41.64 |
|
|
|
| 3 |
A1 |
1314 |
1230 |
26.96 |
|
|
|
| 4 |
A1 |
1046 |
980 |
60.62 |
|
|
|
| 5 |
A1 |
226 |
212 |
2.45 |
|
|
|
| 6 |
A2 |
837 |
784 |
0.00 |
|
|
|
| 7 |
A2 |
495 |
463 |
0.00 |
|
|
|
| 8 |
B1 |
804 |
753 |
29.85 |
|
|
|
| 9 |
B2 |
3321 |
3110 |
1.56 |
|
|
|
| 10 |
B2 |
1447 |
1355 |
29.99 |
|
|
|
| 11 |
B2 |
1170 |
1096 |
93.17 |
|
|
|
| 12 |
B2 |
771 |
722 |
27.78 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8290.5 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 7764.0 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.