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 |
A' |
3307 |
3207 |
|
|
|
|
| 2 |
A' |
3197 |
3100 |
|
|
|
|
| 3 |
A' |
1692 |
1641 |
|
|
|
|
| 4 |
A' |
1416 |
1373 |
|
|
|
|
| 5 |
A' |
1208 |
1171 |
|
|
|
|
| 6 |
A' |
961 |
931 |
|
|
|
|
| 7 |
A' |
701 |
680 |
|
|
|
|
| 8 |
A' |
432 |
419 |
|
|
|
|
| 9 |
A' |
372 |
361 |
|
|
|
|
| 10 |
A" |
813 |
789 |
|
|
|
|
| 11 |
A" |
719 |
697 |
|
|
|
|
| 12 |
A" |
513 |
497 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7665.0 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 7432.8 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.