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 |
3136 |
3041 |
|
|
|
|
| 2 |
A1 |
1449 |
1405 |
|
|
|
|
| 3 |
A1 |
585 |
567 |
|
|
|
|
| 4 |
A1 |
174 |
168 |
|
|
|
|
| 5 |
A2 |
1134 |
1100 |
|
|
|
|
| 6 |
B1 |
3218 |
3121 |
|
|
|
|
| 7 |
B1 |
824 |
799 |
|
|
|
|
| 8 |
B2 |
1252 |
1214 |
|
|
|
|
| 9 |
B2 |
667 |
647 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6218.8 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 6030.4 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.