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 |
1278 |
1194 |
162.11 |
|
|
|
2 |
A1 |
839 |
784 |
123.38 |
|
|
|
3 |
A1 |
524 |
489 |
29.87 |
|
|
|
4 |
A1 |
359 |
336 |
0.00 |
|
|
|
5 |
A2 |
354 |
331 |
0.00 |
|
|
|
6 |
B1 |
892 |
834 |
237.20 |
|
|
|
7 |
B1 |
505 |
472 |
24.11 |
|
|
|
8 |
B2 |
1524 |
1424 |
254.93 |
|
|
|
9 |
B2 |
513 |
479 |
36.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3393.8 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 3171.2 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.