Vibrational Frequencies calculated at MP4/6-311G**
| 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 |
3149 |
3054 |
|
|
|
|
| 2 |
A1 |
2330 |
2259 |
|
|
|
|
| 3 |
A1 |
1409 |
1367 |
|
|
|
|
| 4 |
A1 |
983 |
953 |
|
|
|
|
| 5 |
A1 |
943 |
914 |
|
|
|
|
| 6 |
A2 |
731 |
709 |
|
|
|
|
| 7 |
B1 |
762 |
739 |
|
|
|
|
| 8 |
B1 |
401 |
389 |
|
|
|
|
| 9 |
B2 |
3245 |
3146 |
|
|
|
|
| 10 |
B2 |
2351 |
2280 |
|
|
|
|
| 11 |
B2 |
839 |
814 |
|
|
|
|
| 12 |
B2 |
472 |
458 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8807.6 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8540.7 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.