Vibrational Frequencies calculated at MP3=FULL/6-31+G**
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 |
1425 |
1328 |
192.18 |
|
|
|
2 |
A1 |
881 |
820 |
249.96 |
|
|
|
3 |
A1 |
639 |
595 |
29.82 |
|
|
|
4 |
B1 |
774 |
721 |
14.41 |
|
|
|
5 |
B2 |
1946 |
1813 |
600.64 |
|
|
|
6 |
B2 |
593 |
552 |
2.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3128.7 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 2914.7 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.