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' |
1735 |
1648 |
185.88 |
|
|
|
| 2 |
A' |
989 |
939 |
3.22 |
|
|
|
| 3 |
A' |
808 |
767 |
38.59 |
|
|
|
| 4 |
A' |
358 |
340 |
195.66 |
|
|
|
| 5 |
A' |
280 |
266 |
13.15 |
|
|
|
| 6 |
A" |
369 |
350 |
0.33 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2269.4 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 2154.8 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.