Vibrational Frequencies calculated at MP3/6-31G*
| 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 |
3003 |
30.52 |
|
|
|
| 2 |
A' |
1971 |
1850 |
246.82 |
|
|
|
| 3 |
A' |
1447 |
1358 |
4.72 |
|
|
|
| 4 |
A' |
1165 |
1093 |
236.27 |
|
|
|
| 5 |
A' |
684 |
642 |
23.21 |
|
|
|
| 6 |
A" |
1066 |
1000 |
0.48 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4765.3 cm
-1
Scaled (by 0.9386) Zero Point Vibrational Energy (zpe) 4472.7 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.