Vibrational Frequencies calculated at MP2=FULL/6-311G**
| 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' |
3200 |
3036 |
13.82 |
|
|
|
| 2 |
A' |
1520 |
1442 |
7.83 |
|
|
|
| 3 |
A' |
1208 |
1146 |
114.71 |
|
|
|
| 4 |
A' |
705 |
668 |
31.13 |
|
|
|
| 5 |
A" |
3359 |
3186 |
14.18 |
|
|
|
| 6 |
A" |
1213 |
1150 |
9.60 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5602.0 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 5314.0 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.