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 |
A' |
3363 |
3150 |
6.99 |
|
|
|
| 2 |
A' |
1868 |
1749 |
60.51 |
|
|
|
| 3 |
A' |
1416 |
1326 |
112.48 |
|
|
|
| 4 |
A' |
1318 |
1234 |
174.85 |
|
|
|
| 5 |
A' |
1202 |
1126 |
120.75 |
|
|
|
| 6 |
A' |
949 |
888 |
54.98 |
|
|
|
| 7 |
A' |
620 |
580 |
3.24 |
|
|
|
| 8 |
A' |
480 |
450 |
2.40 |
|
|
|
| 9 |
A' |
225 |
210 |
4.62 |
|
|
|
| 10 |
A" |
766 |
718 |
26.94 |
|
|
|
| 11 |
A" |
549 |
514 |
3.12 |
|
|
|
| 12 |
A" |
309 |
290 |
4.92 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6532.8 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 6118.0 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.