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' |
3354 |
3134 |
6.70 |
|
|
|
| 2 |
A' |
3281 |
3066 |
4.15 |
|
|
|
| 3 |
A' |
3248 |
3035 |
2.00 |
|
|
|
| 4 |
A' |
2833 |
2647 |
6.64 |
|
|
|
| 5 |
A' |
1694 |
1583 |
23.48 |
|
|
|
| 6 |
A' |
1477 |
1380 |
8.19 |
|
|
|
| 7 |
A' |
1345 |
1257 |
1.01 |
|
|
|
| 8 |
A' |
1119 |
1045 |
26.59 |
|
|
|
| 9 |
A' |
935 |
873 |
6.90 |
|
|
|
| 10 |
A' |
733 |
685 |
14.91 |
|
|
|
| 11 |
A' |
389 |
364 |
4.07 |
|
|
|
| 12 |
A" |
1020 |
953 |
24.88 |
|
|
|
| 13 |
A" |
880 |
823 |
36.79 |
|
|
|
| 14 |
A" |
611 |
571 |
10.82 |
|
|
|
| 15 |
A" |
261 |
244 |
18.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11590.5 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 10830.1 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.