Vibrational Frequencies calculated at MP2=FULL/6-31G**
| 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' |
3263 |
3049 |
5.59 |
|
|
|
| 2 |
A' |
3242 |
3029 |
1.68 |
|
|
|
| 3 |
A' |
2083 |
1946 |
327.56 |
|
|
|
| 4 |
A' |
1534 |
1434 |
1.67 |
|
|
|
| 5 |
A' |
1234 |
1153 |
11.46 |
|
|
|
| 6 |
A' |
805 |
752 |
537.17 |
|
|
|
| 7 |
A' |
600 |
560 |
115.85 |
|
|
|
| 8 |
A' |
502 |
469 |
43.04 |
|
|
|
| 9 |
A" |
3389 |
3167 |
1.70 |
|
|
|
| 10 |
A" |
1164 |
1088 |
5.99 |
|
|
|
| 11 |
A" |
983 |
919 |
8.26 |
|
|
|
| 12 |
A" |
386 |
360 |
3.55 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9591.3 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 8962.1 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.