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' |
3162 |
3040 |
|
|
|
|
| 2 |
A' |
3046 |
2929 |
|
|
|
|
| 3 |
A' |
1525 |
1467 |
|
|
|
|
| 4 |
A' |
1463 |
1407 |
|
|
|
|
| 5 |
A' |
1386 |
1332 |
|
|
|
|
| 6 |
A' |
1153 |
1109 |
|
|
|
|
| 7 |
A' |
864 |
831 |
|
|
|
|
| 8 |
A' |
576 |
553 |
|
|
|
|
| 9 |
A" |
3147 |
3026 |
|
|
|
|
| 10 |
A" |
1472 |
1416 |
|
|
|
|
| 11 |
A" |
978 |
941 |
|
|
|
|
| 12 |
A" |
132 |
127 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9452.1 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 9088.2 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.