Vibrational Frequencies calculated at MP2=FULL/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 |
1936 |
1809 |
345.53 |
|
|
|
| 2 |
A1 |
1118 |
1045 |
130.33 |
|
|
|
| 3 |
A1 |
861 |
804 |
157.94 |
|
|
|
| 4 |
A1 |
738 |
690 |
81.00 |
|
|
|
| 5 |
B1 |
780 |
729 |
35.43 |
|
|
|
| 6 |
B1 |
297 |
277 |
75.89 |
|
|
|
| 7 |
B2 |
1238 |
1157 |
381.39 |
|
|
|
| 8 |
B2 |
740 |
691 |
77.34 |
|
|
|
| 9 |
B2 |
570 |
533 |
1.39 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4139.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 3867.6 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.