Vibrational Frequencies calculated at MP2/6-31G**
| 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' |
3406 |
3190 |
0.16 |
|
|
|
| 2 |
A' |
3288 |
3079 |
4.38 |
|
|
|
| 3 |
A' |
1745 |
1635 |
122.54 |
|
|
|
| 4 |
A' |
1449 |
1357 |
4.34 |
|
|
|
| 5 |
A' |
1241 |
1162 |
189.83 |
|
|
|
| 6 |
A' |
978 |
916 |
30.53 |
|
|
|
| 7 |
A' |
719 |
673 |
41.16 |
|
|
|
| 8 |
A' |
437 |
409 |
1.98 |
|
|
|
| 9 |
A' |
378 |
354 |
0.13 |
|
|
|
| 10 |
A" |
832 |
780 |
63.61 |
|
|
|
| 11 |
A" |
740 |
693 |
1.17 |
|
|
|
| 12 |
A" |
528 |
494 |
0.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7871.2 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 7371.4 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.