Vibrational Frequencies calculated at MP4=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 |
1891 |
1818 |
|
|
|
|
| 2 |
A1 |
1088 |
1046 |
|
|
|
|
| 3 |
A1 |
831 |
799 |
|
|
|
|
| 4 |
A1 |
721 |
693 |
|
|
|
|
| 5 |
B1 |
767 |
738 |
|
|
|
|
| 6 |
B1 |
293 |
281 |
|
|
|
|
| 7 |
B2 |
1191 |
1145 |
|
|
|
|
| 8 |
B2 |
690 |
663 |
|
|
|
|
| 9 |
B2 |
564 |
542 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4016.9 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 3862.3 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.