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 |
3313 |
3124 |
0.00 |
|
|
|
| 2 |
Ag |
1784 |
1682 |
0.00 |
|
|
|
| 3 |
Ag |
1329 |
1253 |
0.00 |
|
|
|
| 4 |
Ag |
1175 |
1108 |
0.00 |
|
|
|
| 5 |
Ag |
556 |
525 |
0.00 |
|
|
|
| 6 |
Au |
924 |
871 |
59.96 |
|
|
|
| 7 |
Au |
345 |
325 |
6.72 |
|
|
|
| 8 |
Bg |
791 |
746 |
0.00 |
|
|
|
| 9 |
Bu |
3304 |
3116 |
9.92 |
|
|
|
| 10 |
Bu |
1333 |
1257 |
26.66 |
|
|
|
| 11 |
Bu |
1202 |
1134 |
242.48 |
|
|
|
| 12 |
Bu |
313 |
295 |
13.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8183.8 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 7717.3 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.