Vibrational Frequencies calculated at MP2=FULL/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 |
614 |
583 |
0.00 |
9.31 |
0.48 |
0.65 |
| 2 |
Ag |
356 |
338 |
0.00 |
20.26 |
0.15 |
0.27 |
| 3 |
B1u |
566 |
537 |
135.55 |
0.00 |
0.43 |
0.60 |
| 4 |
B2u |
269 |
255 |
107.25 |
0.00 |
0.00 |
0.00 |
| 5 |
B3g |
502 |
476 |
0.00 |
0.53 |
0.75 |
0.86 |
| 6 |
B3u |
48 |
46 |
115.23 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 1177.5 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 1116.9 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.