Vibrational Frequencies calculated at MP2/CEP-121G*
| 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 |
3167 |
3017 |
0.12 |
|
|
|
| 2 |
A1 |
2279 |
2172 |
33.71 |
|
|
|
| 3 |
A1 |
1434 |
1367 |
5.28 |
|
|
|
| 4 |
A1 |
981 |
934 |
32.17 |
|
|
|
| 5 |
A1 |
933 |
889 |
19.37 |
|
|
|
| 6 |
A2 |
743 |
708 |
0.00 |
|
|
|
| 7 |
B1 |
761 |
725 |
52.87 |
|
|
|
| 8 |
B1 |
430 |
410 |
25.65 |
|
|
|
| 9 |
B2 |
3274 |
3119 |
0.93 |
|
|
|
| 10 |
B2 |
2309 |
2200 |
100.39 |
|
|
|
| 11 |
B2 |
849 |
809 |
73.68 |
|
|
|
| 12 |
B2 |
474 |
451 |
6.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8816.5 cm
-1
Scaled (by 0.9528) Zero Point Vibrational Energy (zpe) 8400.4 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.