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 |
3895 |
3777 |
|
|
|
|
2 |
A |
3278 |
3178 |
|
|
|
|
3 |
A |
3132 |
3037 |
|
|
|
|
4 |
A |
1511 |
1466 |
|
|
|
|
5 |
A |
1396 |
1354 |
|
|
|
|
6 |
A |
1214 |
1177 |
|
|
|
|
7 |
A |
1079 |
1046 |
|
|
|
|
8 |
A |
725 |
703 |
|
|
|
|
9 |
A |
463 |
449 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8346.2 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8093.3 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.