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' |
3517 |
3517 |
3.10 |
|
|
|
| 2 |
A' |
3201 |
3201 |
33.61 |
|
|
|
| 3 |
A' |
3094 |
3094 |
35.89 |
|
|
|
| 4 |
A' |
1745 |
1745 |
13.64 |
|
|
|
| 5 |
A' |
1527 |
1527 |
6.07 |
|
|
|
| 6 |
A' |
1436 |
1436 |
40.32 |
|
|
|
| 7 |
A' |
1112 |
1112 |
34.37 |
|
|
|
| 8 |
A" |
1202 |
1202 |
54.16 |
|
|
|
| 9 |
A" |
1100 |
1100 |
18.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8967.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8967.0 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.