Vibrational Frequencies calculated at MP2=FULL/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 |
A1 |
3261 |
3063 |
6.58 |
|
|
|
| 2 |
A1 |
563 |
529 |
0.55 |
|
|
|
| 3 |
A1 |
235 |
221 |
0.00 |
|
|
|
| 4 |
E |
1210 |
1136 |
39.82 |
|
|
|
| 4 |
E |
1210 |
1136 |
39.82 |
|
|
|
| 5 |
E |
687 |
645 |
83.69 |
|
|
|
| 5 |
E |
687 |
645 |
83.69 |
|
|
|
| 6 |
E |
164 |
154 |
0.01 |
|
|
|
| 6 |
E |
164 |
154 |
0.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4090.3 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 3841.6 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.