Vibrational Frequencies calculated at MP4=FULL/3-21G
| 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' |
3468 |
3394 |
0.00 |
|
|
|
| 2 |
A' |
1671 |
1636 |
0.00 |
|
|
|
| 3 |
A' |
825 |
808 |
0.00 |
|
|
|
| 4 |
A' |
683 |
668 |
0.00 |
|
|
|
| 5 |
A" |
3605 |
3529 |
0.00 |
|
|
|
| 6 |
A" |
765 |
748 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5508.1 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 5391.3 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.