Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
1422 |
1351 |
0.00 |
|
|
|
| 2 |
Ag |
826 |
785 |
0.00 |
|
|
|
| 3 |
Ag |
260 |
247 |
0.00 |
|
|
|
| 4 |
Au |
104 |
99 |
0.00 |
|
|
|
| 5 |
B1u |
1294 |
1229 |
414.19 |
|
|
|
| 6 |
B1u |
757 |
720 |
241.39 |
|
|
|
| 7 |
B2g |
646 |
614 |
0.00 |
|
|
|
| 8 |
B2u |
1982 |
1884 |
258.07 |
|
|
|
| 9 |
B2u |
206 |
196 |
0.16 |
|
|
|
| 10 |
B3g |
1952 |
1854 |
0.00 |
|
|
|
| 11 |
B3g |
482 |
458 |
0.00 |
|
|
|
| 12 |
B3u |
411 |
390 |
7.88 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5171.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 4913.8 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.