Vibrational Frequencies calculated at MP3/6-311G**
| 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 |
3199 |
3199 |
0.00 |
|
|
|
| 2 |
Ag |
1710 |
1710 |
0.00 |
|
|
|
| 3 |
Ag |
1393 |
1393 |
0.00 |
|
|
|
| 4 |
Au |
1067 |
1067 |
0.00 |
|
|
|
| 5 |
B1u |
3181 |
3181 |
13.24 |
|
|
|
| 6 |
B1u |
1492 |
1492 |
7.24 |
|
|
|
| 7 |
B2g |
926 |
926 |
0.00 |
|
|
|
| 8 |
B2u |
3290 |
3290 |
27.04 |
|
|
|
| 9 |
B2u |
833 |
833 |
0.19 |
|
|
|
| 10 |
B3g |
3263 |
3263 |
0.00 |
|
|
|
| 11 |
B3g |
1246 |
1246 |
0.00 |
|
|
|
| 12 |
B3u |
976 |
976 |
93.96 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11287.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11287.9 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.