Vibrational Frequencies calculated at MP2/6-311G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
3815 |
3625 |
46.21 |
|
|
|
| 2 |
A |
1965 |
1867 |
218.70 |
|
|
|
| 3 |
A |
1425 |
1354 |
58.02 |
|
|
|
| 4 |
A |
1338 |
1271 |
198.01 |
|
|
|
| 5 |
A |
987 |
938 |
38.57 |
|
|
|
| 6 |
A |
802 |
762 |
146.00 |
|
|
|
| 7 |
A |
734 |
697 |
8.02 |
|
|
|
| 8 |
A |
660 |
627 |
35.22 |
|
|
|
| 9 |
A |
437 |
415 |
83.61 |
|
|
|
| 10 |
A |
391 |
371 |
58.85 |
|
|
|
| 11 |
A |
317 |
301 |
11.05 |
|
|
|
| 12 |
A |
143 |
136 |
11.06 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6506.1 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 6182.1 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.