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' |
3229 |
3229 |
2.56 |
|
|
|
| 2 |
A' |
1384 |
1384 |
23.31 |
|
|
|
| 3 |
A' |
1159 |
1159 |
185.19 |
|
|
|
| 4 |
A' |
644 |
644 |
22.37 |
|
|
|
| 5 |
A' |
371 |
371 |
0.42 |
|
|
|
| 6 |
A' |
177 |
177 |
0.01 |
|
|
|
| 7 |
A" |
1266 |
1266 |
95.00 |
|
|
|
| 8 |
A" |
748 |
748 |
173.34 |
|
|
|
| 9 |
A" |
311 |
311 |
0.15 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4644.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4644.3 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.