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 |
A1 |
1602 |
1520 |
0.00 |
|
|
|
| 2 |
A1 |
742 |
704 |
0.00 |
|
|
|
| 3 |
A1 |
399 |
378 |
0.00 |
|
|
|
| 4 |
B1 |
157 |
149 |
0.00 |
|
|
|
| 5 |
B2 |
2144 |
2034 |
1005.32 |
|
|
|
| 6 |
B2 |
1067 |
1012 |
542.01 |
|
|
|
| 7 |
B2 |
595 |
564 |
22.30 |
|
|
|
| 8 |
E |
1292 |
1226 |
313.10 |
|
|
|
| 8 |
E |
1292 |
1226 |
313.10 |
|
|
|
| 9 |
E |
661 |
627 |
34.36 |
|
|
|
| 9 |
E |
661 |
627 |
34.36 |
|
|
|
| 10 |
E |
564 |
535 |
2.67 |
|
|
|
| 10 |
E |
564 |
535 |
2.67 |
|
|
|
| 11 |
E |
93 |
88 |
0.11 |
|
|
|
| 11 |
E |
93 |
88 |
0.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5962.5 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 5656.0 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.