Vibrational Frequencies calculated at MP2/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' |
2765 |
2634 |
2.72 |
|
|
|
| 2 |
A' |
2134 |
2032 |
0.82 |
|
|
|
| 3 |
A' |
970 |
924 |
8.80 |
|
|
|
| 4 |
A' |
704 |
670 |
0.05 |
|
|
|
| 5 |
A' |
325 |
310 |
3.84 |
|
|
|
| 6 |
A" |
368 |
351 |
0.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3632.8 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 3460.3 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.