Vibrational Frequencies calculated at MP2=FULL/6-311+G(3df,2pd)
| 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 |
1684 |
1684 |
0.00 |
|
|
|
| 3 |
Ag |
1384 |
1384 |
0.00 |
|
|
|
| 4 |
Au |
1077 |
1077 |
0.00 |
|
|
|
| 5 |
B1u |
3175 |
3175 |
8.86 |
|
|
|
| 6 |
B1u |
1480 |
1480 |
9.71 |
|
|
|
| 7 |
B2g |
965 |
965 |
0.00 |
|
|
|
| 8 |
B2u |
3294 |
3294 |
11.91 |
|
|
|
| 9 |
B2u |
829 |
829 |
0.03 |
|
|
|
| 10 |
B3g |
3268 |
3268 |
0.00 |
|
|
|
| 11 |
B3g |
1245 |
1245 |
0.00 |
|
|
|
| 12 |
B3u |
981 |
981 |
92.95 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11287.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11287.1 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.