Vibrational Frequencies calculated at MP2=FULL/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 |
3181 |
3037 |
50.60 |
|
|
|
| 2 |
A1 |
1685 |
1608 |
85.62 |
|
|
|
| 3 |
A1 |
1204 |
1149 |
20.80 |
|
|
|
| 4 |
B1 |
718 |
685 |
84.35 |
|
|
|
| 5 |
B2 |
3291 |
3142 |
28.38 |
|
|
|
| 6 |
B2 |
216 |
206 |
5.48 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5147.3 cm
-1
Scaled (by 0.9547) Zero Point Vibrational Energy (zpe) 4914.1 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.