Vibrational Frequencies calculated at MP2/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 |
3636 |
3452 |
37.70 |
|
|
|
| 2 |
A1 |
2626 |
2494 |
95.60 |
|
|
|
| 3 |
A1 |
1647 |
1564 |
73.32 |
|
|
|
| 4 |
A1 |
1380 |
1311 |
57.38 |
|
|
|
| 5 |
A1 |
1175 |
1115 |
0.51 |
|
|
|
| 6 |
A2 |
872 |
828 |
0.00 |
|
|
|
| 7 |
B1 |
1029 |
977 |
27.63 |
|
|
|
| 8 |
B1 |
615 |
584 |
185.40 |
|
|
|
| 9 |
B2 |
3747 |
3558 |
36.29 |
|
|
|
| 10 |
B2 |
2710 |
2573 |
164.95 |
|
|
|
| 11 |
B2 |
1146 |
1089 |
35.61 |
|
|
|
| 12 |
B2 |
744 |
706 |
0.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10663.8 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 10125.3 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.