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' |
3206 |
3206 |
14.41 |
|
|
|
| 2 |
A' |
3122 |
3122 |
24.95 |
|
|
|
| 3 |
A' |
3045 |
3045 |
25.31 |
|
|
|
| 4 |
A' |
1514 |
1514 |
1.96 |
|
|
|
| 5 |
A' |
1499 |
1499 |
3.98 |
|
|
|
| 6 |
A' |
1431 |
1431 |
0.91 |
|
|
|
| 7 |
A' |
1089 |
1089 |
0.03 |
|
|
|
| 8 |
A' |
1006 |
1006 |
0.22 |
|
|
|
| 9 |
A' |
455 |
455 |
51.03 |
|
|
|
| 10 |
A" |
3312 |
3312 |
15.75 |
|
|
|
| 11 |
A" |
3163 |
3163 |
22.31 |
|
|
|
| 12 |
A" |
1514 |
1514 |
4.74 |
|
|
|
| 13 |
A" |
1220 |
1220 |
1.88 |
|
|
|
| 14 |
A" |
821 |
821 |
1.28 |
|
|
|
| 15 |
A" |
153 |
153 |
0.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 13275.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 13275.8 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.