Vibrational Frequencies calculated at MP4/6-311G**
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 |
3146 |
3051 |
|
|
|
|
2 |
A1 |
2837 |
2751 |
|
|
|
|
3 |
A1 |
1482 |
1437 |
|
|
|
|
4 |
A1 |
1272 |
1233 |
|
|
|
|
5 |
B1 |
714 |
692 |
|
|
|
|
6 |
B1 |
586 |
568 |
|
|
|
|
7 |
B2 |
3224 |
3126 |
|
|
|
|
8 |
B2 |
914 |
886 |
|
|
|
|
9 |
B2 |
388 |
377 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7280.9 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 7060.3 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.