Vibrational Frequencies calculated at MP3=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 |
1235 |
1235 |
306.39 |
|
|
|
| 2 |
A1 |
846 |
846 |
285.88 |
|
|
|
| 3 |
A1 |
780 |
780 |
83.02 |
|
|
|
| 4 |
A1 |
606 |
606 |
9.39 |
|
|
|
| 5 |
A1 |
408 |
408 |
68.05 |
|
|
|
| 6 |
A2 |
386 |
386 |
0.00 |
|
|
|
| 7 |
B1 |
1416 |
1416 |
330.97 |
|
|
|
| 8 |
B1 |
584 |
584 |
63.39 |
|
|
|
| 9 |
B1 |
117 |
117 |
45.28 |
|
|
|
| 10 |
B2 |
830 |
830 |
425.80 |
|
|
|
| 11 |
B2 |
660 |
660 |
0.26 |
|
|
|
| 12 |
B2 |
481 |
481 |
0.54 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4173.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4173.5 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.