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 |
907 |
861 |
157.65 |
|
|
|
| 2 |
A1 |
671 |
637 |
15.64 |
|
|
|
| 3 |
A1 |
564 |
536 |
31.72 |
|
|
|
| 4 |
B1 |
469 |
445 |
0.00 |
|
|
|
| 5 |
B2 |
614 |
583 |
0.00 |
|
|
|
| 6 |
B2 |
244 |
232 |
0.00 |
|
|
|
| 7 |
E |
884 |
839 |
498.61 |
|
|
|
| 7 |
E |
884 |
839 |
498.61 |
|
|
|
| 8 |
E |
531 |
505 |
4.83 |
|
|
|
| 8 |
E |
531 |
505 |
4.83 |
|
|
|
| 9 |
E |
364 |
345 |
0.14 |
|
|
|
| 9 |
E |
364 |
345 |
0.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3512.9 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 3335.5 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.