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' |
3614 |
3504 |
|
|
|
|
| 2 |
A' |
3465 |
3360 |
|
|
|
|
| 3 |
A' |
2907 |
2819 |
|
|
|
|
| 4 |
A' |
1699 |
1647 |
|
|
|
|
| 5 |
A' |
1429 |
1386 |
|
|
|
|
| 6 |
A' |
1408 |
1365 |
|
|
|
|
| 7 |
A' |
1069 |
1037 |
|
|
|
|
| 8 |
A" |
1173 |
1137 |
|
|
|
|
| 9 |
A" |
788 |
764 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8775.5 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8509.6 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.