Vibrational Frequencies calculated at MP2/6-31G(2df,p)
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
3288 |
3105 |
0.00 |
|
|
|
| 2 |
Ag |
1777 |
1679 |
0.00 |
|
|
|
| 3 |
Ag |
1317 |
1244 |
0.00 |
|
|
|
| 4 |
Ag |
1187 |
1121 |
0.00 |
|
|
|
| 5 |
Ag |
563 |
532 |
0.00 |
|
|
|
| 6 |
Au |
944 |
891 |
50.74 |
|
|
|
| 7 |
Au |
352 |
333 |
4.96 |
|
|
|
| 8 |
Bg |
830 |
784 |
0.00 |
|
|
|
| 9 |
Bu |
3281 |
3099 |
11.65 |
|
|
|
| 10 |
Bu |
1324 |
1250 |
43.16 |
|
|
|
| 11 |
Bu |
1225 |
1157 |
227.43 |
|
|
|
| 12 |
Bu |
309 |
292 |
11.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8198.4 cm
-1
Scaled (by 0.9445) Zero Point Vibrational Energy (zpe) 7743.4 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.