Vibrational Frequencies calculated at MP2=FULL/6-31G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
1276 |
1192 |
508.26 |
0.65 |
0.17 |
0.30 |
| 2 |
A1 |
713 |
666 |
32.31 |
4.48 |
0.09 |
0.16 |
| 3 |
A1 |
435 |
407 |
7.40 |
1.38 |
0.54 |
0.70 |
| 4 |
B1 |
615 |
575 |
58.84 |
1.59 |
0.75 |
0.86 |
| 5 |
B2 |
1473 |
1376 |
333.70 |
0.01 |
0.75 |
0.86 |
| 6 |
B2 |
357 |
333 |
3.88 |
2.02 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2434.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 2274.4 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.