Vibrational Frequencies calculated at MP3=FULL/6-31+G**
| 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 |
3353 |
3124 |
0.00 |
|
|
|
| 2 |
Ag |
1809 |
1685 |
0.00 |
|
|
|
| 3 |
Ag |
1343 |
1251 |
0.00 |
|
|
|
| 4 |
Ag |
1171 |
1091 |
0.00 |
|
|
|
| 5 |
Ag |
560 |
522 |
0.00 |
|
|
|
| 6 |
Au |
917 |
855 |
77.38 |
|
|
|
| 7 |
Au |
340 |
316 |
6.38 |
|
|
|
| 8 |
Bg |
812 |
757 |
0.00 |
|
|
|
| 9 |
Bu |
3346 |
3117 |
11.75 |
|
|
|
| 10 |
Bu |
1335 |
1243 |
25.51 |
|
|
|
| 11 |
Bu |
1198 |
1116 |
294.00 |
|
|
|
| 12 |
Bu |
321 |
299 |
15.99 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8252.3 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 7687.9 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.