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 |
A1 |
2906 |
2757 |
329.16 |
|
|
|
| 2 |
A1 |
1521 |
1442 |
116.48 |
|
|
|
| 3 |
A1 |
1221 |
1158 |
311.08 |
|
|
|
| 4 |
A1 |
481 |
456 |
35.53 |
|
|
|
| 5 |
E |
2931 |
2781 |
189.60 |
|
|
|
| 5 |
E |
2931 |
2781 |
189.60 |
|
|
|
| 6 |
E |
1504 |
1427 |
2.95 |
|
|
|
| 6 |
E |
1504 |
1427 |
2.95 |
|
|
|
| 7 |
E |
1206 |
1144 |
0.31 |
|
|
|
| 7 |
E |
1206 |
1144 |
0.31 |
|
|
|
| 8 |
E |
114 |
108 |
35.42 |
|
|
|
| 8 |
E |
114 |
108 |
35.42 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8820.2 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 8366.8 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.