Vibrational Frequencies calculated at MP4=FULL/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' |
3619 |
3479 |
|
|
|
|
| 2 |
A' |
3470 |
3336 |
|
|
|
|
| 3 |
A' |
2915 |
2802 |
|
|
|
|
| 4 |
A' |
1700 |
1635 |
|
|
|
|
| 5 |
A' |
1432 |
1377 |
|
|
|
|
| 6 |
A' |
1410 |
1356 |
|
|
|
|
| 7 |
A' |
1070 |
1029 |
|
|
|
|
| 8 |
A" |
1174 |
1129 |
|
|
|
|
| 9 |
A" |
792 |
761 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8790.5 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 8452.1 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.