Vibrational Frequencies calculated at MP3=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 |
A' |
3930 |
3930 |
62.88 |
|
|
|
| 2 |
A' |
3295 |
3295 |
5.14 |
|
|
|
| 3 |
A' |
3164 |
3164 |
3.65 |
|
|
|
| 4 |
A' |
1764 |
1764 |
0.83 |
|
|
|
| 5 |
A' |
1503 |
1503 |
42.54 |
|
|
|
| 6 |
A' |
1414 |
1414 |
71.13 |
|
|
|
| 7 |
A' |
1232 |
1232 |
11.33 |
|
|
|
| 8 |
A' |
999 |
999 |
93.51 |
|
|
|
| 9 |
A' |
553 |
553 |
7.53 |
|
|
|
| 10 |
A" |
976 |
976 |
41.68 |
|
|
|
| 11 |
A" |
815 |
815 |
4.96 |
|
|
|
| 12 |
A" |
424 |
424 |
168.69 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10033.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10033.8 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.