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 |
A' |
3901 |
3634 |
89.85 |
|
|
|
| 2 |
A' |
1831 |
1706 |
120.25 |
|
|
|
| 3 |
A' |
1379 |
1285 |
197.85 |
|
|
|
| 4 |
A' |
921 |
858 |
211.05 |
|
|
|
| 5 |
A' |
697 |
650 |
55.70 |
|
|
|
| 6 |
A" |
564 |
525 |
127.68 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4646.4 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 4328.6 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.