Vibrational Frequencies calculated at CCSD/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 |
A1 |
420 |
398 |
24.19 |
|
|
|
| 2 |
A1 |
198 |
188 |
4.32 |
|
|
|
| 3 |
E |
403 |
382 |
92.71 |
|
|
|
| 3 |
E |
403 |
382 |
92.71 |
|
|
|
| 4 |
E |
155 |
146 |
1.06 |
|
|
|
| 4 |
E |
155 |
146 |
1.06 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 866.7 cm
-1
Scaled (by 0.9473) Zero Point Vibrational Energy (zpe) 821.0 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.