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' |
3325 |
3107 |
12.30 |
|
|
|
| 2 |
A' |
1670 |
1560 |
9.69 |
|
|
|
| 3 |
A' |
1326 |
1239 |
9.58 |
|
|
|
| 4 |
A' |
993 |
928 |
100.12 |
|
|
|
| 5 |
A' |
891 |
832 |
93.26 |
|
|
|
| 6 |
A' |
656 |
613 |
11.19 |
|
|
|
| 7 |
A' |
401 |
375 |
0.04 |
|
|
|
| 8 |
A' |
289 |
270 |
0.39 |
|
|
|
| 9 |
A' |
179 |
167 |
0.84 |
|
|
|
| 10 |
A" |
817 |
764 |
27.67 |
|
|
|
| 11 |
A" |
478 |
447 |
2.70 |
|
|
|
| 12 |
A" |
211 |
197 |
0.57 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5617.4 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 5248.9 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.