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' |
3866 |
3613 |
31.68 |
|
|
|
| 2 |
A' |
3373 |
3151 |
7.24 |
|
|
|
| 3 |
A' |
3301 |
3084 |
7.26 |
|
|
|
| 4 |
A' |
3257 |
3044 |
4.98 |
|
|
|
| 5 |
A' |
1748 |
1634 |
123.32 |
|
|
|
| 6 |
A' |
1496 |
1398 |
18.79 |
|
|
|
| 7 |
A' |
1388 |
1297 |
1.89 |
|
|
|
| 8 |
A' |
1356 |
1267 |
4.22 |
|
|
|
| 9 |
A' |
1142 |
1067 |
183.73 |
|
|
|
| 10 |
A' |
982 |
917 |
8.78 |
|
|
|
| 11 |
A' |
495 |
462 |
13.92 |
|
|
|
| 12 |
A" |
1012 |
946 |
32.94 |
|
|
|
| 13 |
A" |
805 |
752 |
55.00 |
|
|
|
| 14 |
A" |
723 |
675 |
0.87 |
|
|
|
| 15 |
A" |
468 |
437 |
127.24 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 12705.7 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 11872.2 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.