Vibrational Frequencies calculated at MP2/6-31G**
| 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 |
3338 |
3126 |
0.00 |
|
|
|
| 2 |
Ag |
1790 |
1677 |
0.00 |
|
|
|
| 3 |
Ag |
1331 |
1246 |
0.00 |
|
|
|
| 4 |
Ag |
1177 |
1102 |
0.00 |
|
|
|
| 5 |
Ag |
557 |
521 |
0.00 |
|
|
|
| 6 |
Au |
931 |
872 |
55.41 |
|
|
|
| 7 |
Au |
345 |
323 |
6.62 |
|
|
|
| 8 |
Bg |
790 |
740 |
0.00 |
|
|
|
| 9 |
Bu |
3330 |
3118 |
11.02 |
|
|
|
| 10 |
Bu |
1335 |
1250 |
30.86 |
|
|
|
| 11 |
Bu |
1205 |
1129 |
237.45 |
|
|
|
| 12 |
Bu |
313 |
293 |
13.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8220.1 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 7698.1 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.