Vibrational Frequencies calculated at MP4/6-31G*
| 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 |
2690 |
2568 |
|
|
|
|
| 2 |
A1 |
2184 |
2085 |
|
|
|
|
| 3 |
A1 |
1296 |
1238 |
|
|
|
|
| 4 |
A1 |
879 |
839 |
|
|
|
|
| 5 |
A2 |
829 |
792 |
|
|
|
|
| 6 |
B1 |
2810 |
2683 |
|
|
|
|
| 7 |
B1 |
1095 |
1045 |
|
|
|
|
| 8 |
B2 |
2076 |
1982 |
|
|
|
|
| 9 |
B2 |
789 |
753 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7324.1 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 6993.1 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.