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 |
A1 |
3038 |
2913 |
|
|
|
|
| 2 |
A1 |
1525 |
1463 |
|
|
|
|
| 3 |
A1 |
1079 |
1034 |
|
|
|
|
| 4 |
E |
3131 |
3003 |
|
|
|
|
| 4 |
E |
3131 |
3003 |
|
|
|
|
| 5 |
E |
1522 |
1460 |
|
|
|
|
| 5 |
E |
1522 |
1459 |
|
|
|
|
| 6 |
E |
1212 |
1163 |
|
|
|
|
| 6 |
E |
1212 |
1163 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8686.4 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 8330.2 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.