Vibrational Frequencies calculated at MP2=FULL/6-31G
| 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' |
2515 |
2389 |
11.08 |
|
|
|
| 2 |
A' |
2042 |
1940 |
1.41 |
|
|
|
| 3 |
A' |
952 |
905 |
20.35 |
|
|
|
| 4 |
A' |
618 |
587 |
0.97 |
|
|
|
| 5 |
A' |
290 |
276 |
4.42 |
|
|
|
| 6 |
A" |
304 |
289 |
0.65 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3360.8 cm
-1
Scaled (by 0.9501) Zero Point Vibrational Energy (zpe) 3193.1 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.