Vibrational Frequencies calculated at MP4/6-311G**
| 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' |
3779 |
3664 |
0.00 |
|
|
|
| 2 |
A' |
1598 |
1550 |
0.00 |
|
|
|
| 3 |
A' |
877 |
850 |
0.00 |
|
|
|
| 4 |
A' |
660 |
640 |
0.00 |
|
|
|
| 5 |
A" |
3877 |
3760 |
0.00 |
|
|
|
| 6 |
A" |
826 |
801 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5808.6 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 5632.6 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.