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 |
A1' |
1028 |
977 |
0.00 |
45.55 |
0.09 |
0.16 |
| 2 |
A2" |
466 |
443 |
36.38 |
0.00 |
0.75 |
0.86 |
| 3 |
E' |
1396 |
1326 |
164.85 |
9.94 |
0.75 |
0.86 |
| 3 |
E' |
1396 |
1326 |
164.85 |
9.94 |
0.75 |
0.86 |
| 4 |
E' |
501 |
476 |
32.90 |
5.90 |
0.75 |
0.86 |
| 4 |
E' |
501 |
476 |
32.90 |
5.90 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2644.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2512.7 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.