Vibrational Frequencies calculated at MP3/CEP-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 |
3193 |
3193 |
0.00 |
|
|
|
| 2 |
Ag |
1712 |
1712 |
0.00 |
|
|
|
| 3 |
Ag |
1368 |
1368 |
0.00 |
|
|
|
| 4 |
Au |
1023 |
1023 |
0.00 |
|
|
|
| 5 |
B1u |
3172 |
3172 |
24.58 |
|
|
|
| 6 |
B1u |
1472 |
1472 |
6.52 |
|
|
|
| 7 |
B2g |
767 |
767 |
0.00 |
|
|
|
| 8 |
B2u |
3288 |
3288 |
55.49 |
|
|
|
| 9 |
B2u |
799 |
799 |
0.91 |
|
|
|
| 10 |
B3g |
3244 |
3244 |
0.00 |
|
|
|
| 11 |
B3g |
1198 |
1198 |
0.00 |
|
|
|
| 12 |
B3u |
926 |
926 |
141.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11081.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11081.1 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.