Vibrational Frequencies calculated at MP2/cc-pCVDZ
| 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' |
3232 |
3089 |
18.53 |
|
|
|
| 2 |
A' |
2403 |
2297 |
207.10 |
|
|
|
| 3 |
A' |
1426 |
1364 |
16.53 |
|
|
|
| 4 |
A' |
1149 |
1099 |
4.91 |
|
|
|
| 5 |
A' |
558 |
534 |
7.66 |
|
|
|
| 6 |
A' |
310 |
296 |
173.19 |
|
|
|
| 7 |
A" |
3372 |
3224 |
3.72 |
|
|
|
| 8 |
A" |
1123 |
1073 |
1.40 |
|
|
|
| 9 |
A" |
437 |
418 |
1.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7005.3 cm
-1
Scaled (by 0.9559) Zero Point Vibrational Energy (zpe) 6696.3 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.