Vibrational Frequencies calculated at MP2/aug-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 |
A' |
3933 |
3747 |
0.00 |
|
|
|
| 2 |
A' |
701 |
668 |
0.00 |
|
|
|
| 3 |
A' |
626 |
596 |
0.00 |
|
|
|
| 4 |
A" |
320 |
305 |
373.29 |
|
|
|
| 5 |
A" |
291 |
277 |
9.49 |
|
|
|
| 6 |
E' |
3932 |
3746 |
132.45 |
|
|
|
| 6 |
E' |
3932 |
3746 |
132.45 |
|
|
|
| 7 |
E' |
924 |
881 |
172.61 |
|
|
|
| 7 |
E' |
924 |
881 |
172.61 |
|
|
|
| 8 |
E' |
644 |
614 |
212.06 |
|
|
|
| 8 |
E' |
644 |
614 |
212.06 |
|
|
|
| 9 |
E' |
218 |
208 |
31.64 |
|
|
|
| 9 |
E' |
218 |
208 |
31.64 |
|
|
|
| 10 |
E" |
355 |
338 |
0.00 |
|
|
|
| 10 |
E" |
355 |
338 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9007.9 cm
-1
Scaled (by 0.9529) Zero Point Vibrational Energy (zpe) 8583.6 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.