Vibrational Frequencies calculated at MP2=FULL/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 |
3340 |
3121 |
0.00 |
|
|
|
| 2 |
Ag |
1794 |
1677 |
0.00 |
|
|
|
| 3 |
Ag |
1332 |
1245 |
0.00 |
|
|
|
| 4 |
Ag |
1180 |
1103 |
0.00 |
|
|
|
| 5 |
Ag |
558 |
521 |
0.00 |
|
|
|
| 6 |
Au |
935 |
873 |
55.33 |
|
|
|
| 7 |
Au |
345 |
323 |
6.57 |
|
|
|
| 8 |
Bg |
797 |
744 |
0.00 |
|
|
|
| 9 |
Bu |
3332 |
3113 |
11.17 |
|
|
|
| 10 |
Bu |
1338 |
1250 |
31.75 |
|
|
|
| 11 |
Bu |
1209 |
1130 |
237.16 |
|
|
|
| 12 |
Bu |
313 |
292 |
13.24 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8236.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 7695.8 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.