Vibrational Frequencies calculated at MP2=FULL/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 |
3079 |
2916 |
19.38 |
|
|
|
| 2 |
A1 |
1207 |
1144 |
3.00 |
|
|
|
| 3 |
A1 |
518 |
490 |
21.11 |
|
|
|
| 4 |
E |
3185 |
3016 |
28.01 |
|
|
|
| 4 |
E |
3185 |
3016 |
28.01 |
|
|
|
| 5 |
E |
1480 |
1402 |
4.14 |
|
|
|
| 5 |
E |
1480 |
1402 |
4.14 |
|
|
|
| 6 |
E |
657 |
622 |
35.75 |
|
|
|
| 6 |
E |
657 |
622 |
35.75 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7723.8 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 7315.2 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.