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' |
3199 |
3037 |
13.11 |
|
|
|
2 |
A' |
1511 |
1435 |
5.88 |
|
|
|
3 |
A' |
1210 |
1149 |
114.53 |
|
|
|
4 |
A' |
653 |
620 |
36.77 |
|
|
|
5 |
A" |
3361 |
3191 |
7.91 |
|
|
|
6 |
A" |
1202 |
1141 |
7.60 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5567.6 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 5286.4 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.