Vibrational Frequencies calculated at MP2/6-31G(2df,p)
| 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 |
3214 |
3035 |
2.06 |
|
|
|
| 2 |
A1 |
2338 |
2208 |
26.21 |
|
|
|
| 3 |
A1 |
1407 |
1328 |
3.91 |
|
|
|
| 4 |
A1 |
1003 |
947 |
28.46 |
|
|
|
| 5 |
A1 |
954 |
901 |
21.17 |
|
|
|
| 6 |
A2 |
752 |
710 |
0.00 |
|
|
|
| 7 |
B1 |
777 |
734 |
33.88 |
|
|
|
| 8 |
B1 |
477 |
451 |
24.07 |
|
|
|
| 9 |
B2 |
3317 |
3133 |
0.48 |
|
|
|
| 10 |
B2 |
2358 |
2227 |
74.92 |
|
|
|
| 11 |
B2 |
837 |
790 |
65.85 |
|
|
|
| 12 |
B2 |
467 |
441 |
4.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8950.0 cm
-1
Scaled (by 0.9445) Zero Point Vibrational Energy (zpe) 8453.3 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.