Vibrational Frequencies calculated at MP3/cc-pVTZ
| 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 |
1640 |
1550 |
0.00 |
|
|
|
| 2 |
A1 |
760 |
718 |
0.00 |
|
|
|
| 3 |
A1 |
404 |
382 |
0.00 |
|
|
|
| 4 |
B1 |
164 |
155 |
0.00 |
|
|
|
| 5 |
B2 |
2182 |
2061 |
946.11 |
|
|
|
| 6 |
B2 |
1102 |
1041 |
520.60 |
|
|
|
| 7 |
B2 |
602 |
569 |
20.43 |
|
|
|
| 8 |
E |
1347 |
1272 |
276.52 |
|
|
|
| 8 |
E |
1347 |
1272 |
276.52 |
|
|
|
| 9 |
E |
654 |
618 |
24.63 |
|
|
|
| 9 |
E |
654 |
618 |
24.63 |
|
|
|
| 10 |
E |
571 |
540 |
1.25 |
|
|
|
| 10 |
E |
571 |
540 |
1.25 |
|
|
|
| 11 |
E |
91 |
86 |
0.01 |
|
|
|
| 11 |
E |
91 |
86 |
0.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6089.8 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 5753.0 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.