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' |
3488 |
3309 |
0.39 |
|
|
|
2 |
A' |
1634 |
1550 |
27.32 |
|
|
|
3 |
A' |
1293 |
1227 |
73.67 |
|
|
|
4 |
A' |
1002 |
951 |
20.20 |
|
|
|
5 |
A" |
3590 |
3405 |
0.40 |
|
|
|
6 |
A" |
1362 |
1292 |
1.92 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6184.0 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 5866.1 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.