Vibrational Frequencies calculated at MP2/3-21G
| 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 |
3184 |
3039 |
0.06 |
|
|
|
| 2 |
A1 |
2253 |
2150 |
39.90 |
|
|
|
| 3 |
A1 |
1490 |
1422 |
2.13 |
|
|
|
| 4 |
A1 |
974 |
930 |
66.99 |
|
|
|
| 5 |
A1 |
922 |
880 |
20.59 |
|
|
|
| 6 |
A2 |
761 |
726 |
0.00 |
|
|
|
| 7 |
B1 |
831 |
793 |
57.27 |
|
|
|
| 8 |
B1 |
443 |
423 |
29.43 |
|
|
|
| 9 |
B2 |
3282 |
3133 |
0.56 |
|
|
|
| 10 |
B2 |
2274 |
2170 |
118.18 |
|
|
|
| 11 |
B2 |
900 |
859 |
75.26 |
|
|
|
| 12 |
B2 |
493 |
470 |
13.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8902.3 cm
-1
Scaled (by 0.9545) Zero Point Vibrational Energy (zpe) 8497.2 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.