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' |
3192 |
3031 |
24.79 |
|
|
|
2 |
A' |
1203 |
1142 |
92.49 |
|
|
|
3 |
A' |
1063 |
1010 |
8.70 |
|
|
|
4 |
A' |
558 |
530 |
4.59 |
|
|
|
5 |
A" |
1376 |
1306 |
69.60 |
|
|
|
6 |
A" |
1226 |
1164 |
226.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4308.9 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 4091.3 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.