Vibrational Frequencies calculated at MP2=FULL/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' |
3242 |
3081 |
18.39 |
|
|
|
| 2 |
A' |
2409 |
2289 |
209.37 |
|
|
|
| 3 |
A' |
1427 |
1356 |
16.54 |
|
|
|
| 4 |
A' |
1154 |
1097 |
4.82 |
|
|
|
| 5 |
A' |
561 |
533 |
6.57 |
|
|
|
| 6 |
A' |
310 |
294 |
173.75 |
|
|
|
| 7 |
A" |
3382 |
3214 |
3.84 |
|
|
|
| 8 |
A" |
1122 |
1067 |
1.37 |
|
|
|
| 9 |
A" |
439 |
417 |
1.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7022.6 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 6674.2 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.