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' |
3576 |
3576 |
1.62 |
|
|
|
| 2 |
A' |
3123 |
3123 |
40.27 |
|
|
|
| 3 |
A' |
3030 |
3030 |
77.85 |
|
|
|
| 4 |
A' |
1762 |
1762 |
35.54 |
|
|
|
| 5 |
A' |
1540 |
1540 |
7.21 |
|
|
|
| 6 |
A' |
1504 |
1504 |
1.55 |
|
|
|
| 7 |
A' |
1218 |
1218 |
15.04 |
|
|
|
| 8 |
A' |
1102 |
1102 |
9.59 |
|
|
|
| 9 |
A' |
921 |
921 |
169.82 |
|
|
|
| 10 |
A" |
3657 |
3657 |
0.09 |
|
|
|
| 11 |
A" |
3162 |
3162 |
33.90 |
|
|
|
| 12 |
A" |
1558 |
1558 |
4.37 |
|
|
|
| 13 |
A" |
1400 |
1400 |
0.13 |
|
|
|
| 14 |
A" |
1000 |
1000 |
0.00 |
|
|
|
| 15 |
A" |
337 |
337 |
45.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14445.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 14445.3 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.