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 |
3763 |
3532 |
134.55 |
|
|
|
| 2 |
A |
1379 |
1294 |
212.26 |
|
|
|
| 3 |
A |
1195 |
1121 |
107.62 |
|
|
|
| 4 |
A |
1141 |
1071 |
78.19 |
|
|
|
| 5 |
A |
814 |
764 |
161.84 |
|
|
|
| 6 |
A |
547 |
513 |
50.71 |
|
|
|
| 7 |
A |
432 |
406 |
21.06 |
|
|
|
| 8 |
A |
424 |
398 |
42.69 |
|
|
|
| 9 |
A |
281 |
264 |
111.61 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4987.8 cm
-1
Scaled (by 0.9386) Zero Point Vibrational Energy (zpe) 4681.5 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.