Vibrational Frequencies calculated at MP2/cc-pCVDZ
| 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 |
2745 |
2624 |
2.88 |
|
|
|
| 2 |
A |
906 |
866 |
0.25 |
|
|
|
| 3 |
A |
528 |
505 |
0.08 |
|
|
|
| 4 |
A |
431 |
412 |
17.58 |
|
|
|
| 5 |
B |
2748 |
2627 |
5.30 |
|
|
|
| 6 |
B |
907 |
867 |
3.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4132.6 cm
-1
Scaled (by 0.9559) Zero Point Vibrational Energy (zpe) 3950.3 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.