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 |
A1 |
3176 |
3036 |
49.97 |
|
|
|
| 2 |
A1 |
1682 |
1608 |
85.28 |
|
|
|
| 3 |
A1 |
1203 |
1150 |
20.47 |
|
|
|
| 4 |
B1 |
718 |
686 |
84.05 |
|
|
|
| 5 |
B2 |
3286 |
3141 |
27.89 |
|
|
|
| 6 |
B2 |
222 |
212 |
5.58 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5143.1 cm
-1
Scaled (by 0.9559) Zero Point Vibrational Energy (zpe) 4916.3 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.