Vibrational Frequencies calculated at MP2=FULL/cc-pVQZ
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' |
2366 |
2264 |
60.07 |
|
|
|
2 |
A' |
2364 |
2262 |
118.70 |
|
|
|
3 |
A' |
1692 |
1619 |
33.83 |
|
|
|
4 |
A' |
985 |
942 |
68.92 |
|
|
|
5 |
A' |
775 |
742 |
99.55 |
|
|
|
6 |
A' |
709 |
678 |
46.94 |
|
|
|
7 |
A" |
1709 |
1635 |
69.40 |
|
|
|
8 |
A" |
899 |
860 |
131.85 |
|
|
|
9 |
A" |
877 |
839 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6186.4 cm
-1
Scaled (by 0.9571) Zero Point Vibrational Energy (zpe) 5921.0 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.