Vibrational Frequencies calculated at MP3/6-31+G**
| 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 |
3838 |
3572 |
74.50 |
|
|
|
| 2 |
A |
3635 |
3382 |
41.26 |
|
|
|
| 3 |
A |
1697 |
1579 |
115.37 |
|
|
|
| 4 |
A |
1658 |
1543 |
179.22 |
|
|
|
| 5 |
A |
1288 |
1199 |
137.77 |
|
|
|
| 6 |
A |
1164 |
1084 |
97.85 |
|
|
|
| 7 |
A |
694 |
646 |
5.95 |
|
|
|
| 8 |
A |
645 |
600 |
2.75 |
|
|
|
| 9 |
A |
286 |
266 |
322.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7452.7 cm
-1
Scaled (by 0.9305) Zero Point Vibrational Energy (zpe) 6934.8 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.