Vibrational Frequencies calculated at MP3=FULL/6-31G
| 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' |
3199 |
3199 |
1.58 |
|
|
|
| 2 |
A' |
3139 |
3139 |
10.83 |
|
|
|
| 3 |
A' |
1984 |
1984 |
279.62 |
|
|
|
| 4 |
A' |
1551 |
1551 |
2.45 |
|
|
|
| 5 |
A' |
1221 |
1221 |
14.14 |
|
|
|
| 6 |
A' |
827 |
827 |
586.26 |
|
|
|
| 7 |
A' |
727 |
727 |
122.02 |
|
|
|
| 8 |
A' |
471 |
471 |
28.25 |
|
|
|
| 9 |
A" |
3310 |
3310 |
9.28 |
|
|
|
| 10 |
A" |
1199 |
1199 |
7.85 |
|
|
|
| 11 |
A" |
982 |
982 |
8.73 |
|
|
|
| 12 |
A" |
357 |
357 |
9.17 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9484.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9484.0 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.