Vibrational Frequencies calculated at MP2/cc-pVTZ
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' |
3369 |
3198 |
1.78 |
|
|
|
2 |
A' |
3188 |
3027 |
15.51 |
|
|
|
3 |
A' |
1482 |
1407 |
1.86 |
|
|
|
4 |
A' |
1302 |
1236 |
32.72 |
|
|
|
5 |
A' |
1186 |
1126 |
261.51 |
|
|
|
6 |
A' |
1092 |
1037 |
700.68 |
|
|
|
7 |
A' |
558 |
530 |
10.09 |
|
|
|
8 |
A" |
796 |
756 |
33.32 |
|
|
|
9 |
A" |
672 |
638 |
31.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6822.1 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 6477.6 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.