Vibrational Frequencies calculated at MP2/cc-pVDZ
| 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' |
3223 |
3070 |
3.69 |
|
|
|
| 2 |
A' |
3108 |
2960 |
18.11 |
|
|
|
| 3 |
A' |
2529 |
2408 |
25.21 |
|
|
|
| 4 |
A' |
1483 |
1413 |
6.55 |
|
|
|
| 5 |
A' |
1325 |
1262 |
11.75 |
|
|
|
| 6 |
A' |
1018 |
970 |
17.45 |
|
|
|
| 7 |
A' |
730 |
695 |
0.46 |
|
|
|
| 8 |
A' |
618 |
588 |
0.00 |
|
|
|
| 9 |
A" |
3228 |
3075 |
4.29 |
|
|
|
| 10 |
A" |
1471 |
1401 |
4.05 |
|
|
|
| 11 |
A" |
928 |
884 |
7.77 |
|
|
|
| 12 |
A" |
220 |
210 |
7.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9939.8 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 9467.7 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.