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' |
3578 |
3578 |
0.65 |
|
|
|
| 2 |
A' |
3130 |
3130 |
41.02 |
|
|
|
| 3 |
A' |
3041 |
3041 |
75.26 |
|
|
|
| 4 |
A' |
1685 |
1685 |
22.75 |
|
|
|
| 5 |
A' |
1526 |
1526 |
6.21 |
|
|
|
| 6 |
A' |
1492 |
1492 |
2.34 |
|
|
|
| 7 |
A' |
1211 |
1211 |
12.36 |
|
|
|
| 8 |
A' |
1101 |
1101 |
9.48 |
|
|
|
| 9 |
A' |
909 |
909 |
143.10 |
|
|
|
| 10 |
A" |
3656 |
3656 |
0.00 |
|
|
|
| 11 |
A" |
3167 |
3167 |
34.43 |
|
|
|
| 12 |
A" |
1545 |
1545 |
2.58 |
|
|
|
| 13 |
A" |
1385 |
1385 |
0.13 |
|
|
|
| 14 |
A" |
996 |
996 |
0.21 |
|
|
|
| 15 |
A" |
335 |
335 |
38.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14378.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 14378.7 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.