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 |
1405 |
1334 |
221.20 |
|
|
|
| 2 |
A1 |
798 |
758 |
60.24 |
|
|
|
| 3 |
A1 |
602 |
571 |
3.44 |
|
|
|
| 4 |
A1 |
564 |
536 |
30.61 |
|
|
|
| 5 |
A1 |
181 |
172 |
0.01 |
|
|
|
| 6 |
A2 |
553 |
525 |
0.00 |
|
|
|
| 7 |
B1 |
929 |
882 |
259.79 |
|
|
|
| 8 |
B1 |
556 |
528 |
21.93 |
|
|
|
| 9 |
B1 |
259 |
246 |
0.11 |
|
|
|
| 10 |
B2 |
849 |
806 |
482.83 |
|
|
|
| 11 |
B2 |
632 |
600 |
35.13 |
|
|
|
| 12 |
B2 |
548 |
520 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3937.4 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 3738.6 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.