Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
3286 |
3123 |
0.00 |
|
|
|
| 2 |
Ag |
1760 |
1672 |
0.00 |
|
|
|
| 3 |
Ag |
1314 |
1248 |
0.00 |
|
|
|
| 4 |
Ag |
1172 |
1113 |
0.00 |
|
|
|
| 5 |
Ag |
558 |
530 |
0.00 |
|
|
|
| 6 |
Au |
929 |
883 |
70.02 |
|
|
|
| 7 |
Au |
345 |
328 |
5.81 |
|
|
|
| 8 |
Bg |
813 |
773 |
0.00 |
|
|
|
| 9 |
Bu |
3278 |
3115 |
12.24 |
|
|
|
| 10 |
Bu |
1310 |
1245 |
30.28 |
|
|
|
| 11 |
Bu |
1201 |
1141 |
270.44 |
|
|
|
| 12 |
Bu |
316 |
300 |
13.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8140.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 7735.3 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.