Vibrational Frequencies calculated at MP3=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 |
2668 |
2668 |
37.65 |
|
|
|
2 |
A1 |
2107 |
2107 |
111.14 |
|
|
|
3 |
A1 |
1286 |
1286 |
55.24 |
|
|
|
4 |
A1 |
761 |
761 |
30.93 |
|
|
|
5 |
A2 |
875 |
875 |
0.00 |
|
|
|
6 |
B1 |
2793 |
2793 |
92.26 |
|
|
|
7 |
B1 |
1105 |
1105 |
1.16 |
|
|
|
8 |
B2 |
2002 |
2002 |
0.81 |
|
|
|
9 |
B2 |
775 |
775 |
0.09 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7185.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7185.9 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.