Vibrational Frequencies calculated at MP2=FULL/cc-pCVTZ
| 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 |
1182 |
1124 |
0.00 |
|
|
|
| 2 |
A1 |
416 |
396 |
0.00 |
|
|
|
| 3 |
A1 |
176 |
167 |
0.00 |
|
|
|
| 4 |
B1 |
26 |
25 |
0.00 |
|
|
|
| 5 |
B2 |
756 |
719 |
146.11 |
|
|
|
| 6 |
B2 |
297 |
283 |
4.70 |
|
|
|
| 7 |
E |
957 |
911 |
311.26 |
|
|
|
| 7 |
E |
957 |
911 |
311.26 |
|
|
|
| 8 |
E |
507 |
482 |
6.71 |
|
|
|
| 8 |
E |
507 |
482 |
6.71 |
|
|
|
| 9 |
E |
95 |
90 |
0.78 |
|
|
|
| 9 |
E |
95 |
90 |
0.78 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2985.0 cm
-1
Scaled (by 0.9511) Zero Point Vibrational Energy (zpe) 2839.0 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.