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' |
3217 |
3093 |
|
|
|
|
| 2 |
A' |
3090 |
2971 |
|
|
|
|
| 3 |
A' |
2143 |
2060 |
|
|
|
|
| 4 |
A' |
1644 |
1581 |
|
|
|
|
| 5 |
A' |
1491 |
1434 |
|
|
|
|
| 6 |
A' |
1224 |
1177 |
|
|
|
|
| 7 |
A' |
923 |
887 |
|
|
|
|
| 8 |
A' |
610 |
587 |
|
|
|
|
| 9 |
A' |
244 |
235 |
|
|
|
|
| 10 |
A" |
1067 |
1026 |
|
|
|
|
| 11 |
A" |
769 |
739 |
|
|
|
|
| 12 |
A" |
356 |
342 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8388.2 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 8065.3 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.