Vibrational Frequencies calculated at MP2=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 |
3138 |
2972 |
37.27 |
|
|
|
| 2 |
A |
3102 |
2938 |
32.65 |
|
|
|
| 3 |
A |
3019 |
2860 |
4.82 |
|
|
|
| 4 |
A |
1567 |
1484 |
5.32 |
|
|
|
| 5 |
A |
1462 |
1384 |
17.22 |
|
|
|
| 6 |
A |
1452 |
1375 |
14.29 |
|
|
|
| 7 |
A |
1145 |
1085 |
10.41 |
|
|
|
| 8 |
A |
1004 |
951 |
2.64 |
|
|
|
| 9 |
A |
822 |
779 |
57.05 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8355.2 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 7913.3 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.