Vibrational Frequencies calculated at MP3=FULL/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
1866 |
1739 |
438.81 |
|
|
|
| 2 |
A' |
1407 |
1311 |
300.85 |
|
|
|
| 3 |
A' |
883 |
822 |
295.04 |
|
|
|
| 4 |
A' |
803 |
748 |
5.14 |
|
|
|
| 5 |
A' |
676 |
630 |
27.77 |
|
|
|
| 6 |
A' |
415 |
387 |
0.57 |
|
|
|
| 7 |
A' |
228 |
212 |
0.53 |
|
|
|
| 8 |
A" |
764 |
712 |
11.96 |
|
|
|
| 9 |
A" |
134 |
125 |
0.17 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3588.2 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 3342.8 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.