Vibrational Frequencies calculated at MP2=FULL/cc-pCVTZ
| 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 |
3202 |
3045 |
0.00 |
|
|
|
| 2 |
Ag |
1689 |
1607 |
0.00 |
|
|
|
| 3 |
Ag |
1388 |
1320 |
0.00 |
|
|
|
| 4 |
Au |
1079 |
1026 |
0.00 |
|
|
|
| 5 |
B1u |
3185 |
3029 |
9.35 |
|
|
|
| 6 |
B1u |
1487 |
1415 |
9.34 |
|
|
|
| 7 |
B2g |
964 |
917 |
0.00 |
|
|
|
| 8 |
B2u |
3301 |
3140 |
13.74 |
|
|
|
| 9 |
B2u |
831 |
790 |
0.14 |
|
|
|
| 10 |
B3g |
3275 |
3115 |
0.00 |
|
|
|
| 11 |
B3g |
1249 |
1188 |
0.00 |
|
|
|
| 12 |
B3u |
985 |
937 |
92.68 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11317.9 cm
-1
Scaled (by 0.9511) Zero Point Vibrational Energy (zpe) 10764.5 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.