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' |
3149 |
3054 |
|
|
|
|
| 2 |
A' |
3033 |
2942 |
|
|
|
|
| 3 |
A' |
1521 |
1475 |
|
|
|
|
| 4 |
A' |
1478 |
1433 |
|
|
|
|
| 5 |
A' |
1204 |
1168 |
|
|
|
|
| 6 |
A' |
1041 |
1010 |
|
|
|
|
| 7 |
A' |
628 |
609 |
|
|
|
|
| 8 |
A' |
369 |
357 |
|
|
|
|
| 9 |
A" |
3112 |
3017 |
|
|
|
|
| 10 |
A" |
1476 |
1431 |
|
|
|
|
| 11 |
A" |
1188 |
1152 |
|
|
|
|
| 12 |
A" |
279 |
271 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9239.3 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8959.3 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.