Vibrational Frequencies calculated at MP2/6-311G*
| 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 |
3178 |
3020 |
15.05 |
|
|
|
| 2 |
A1 |
2855 |
2713 |
16.54 |
|
|
|
| 3 |
A1 |
1508 |
1433 |
53.56 |
|
|
|
| 4 |
A1 |
1300 |
1236 |
4.87 |
|
|
|
| 5 |
B1 |
728 |
691 |
92.46 |
|
|
|
| 6 |
B1 |
624 |
593 |
15.75 |
|
|
|
| 7 |
B2 |
3258 |
3096 |
1.68 |
|
|
|
| 8 |
B2 |
936 |
889 |
49.21 |
|
|
|
| 9 |
B2 |
409 |
388 |
3.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7397.7 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 7030.0 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.