Vibrational Frequencies calculated at MP4/6-31G*
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A1 |
3220 |
3146 |
|
|
|
|
2 |
A1 |
2171 |
2121 |
|
|
|
|
3 |
A1 |
1436 |
1403 |
|
|
|
|
4 |
A1 |
1141 |
1115 |
|
|
|
|
5 |
B1 |
574 |
561 |
|
|
|
|
6 |
B1 |
488 |
476 |
|
|
|
|
7 |
B2 |
3320 |
3243 |
|
|
|
|
8 |
B2 |
1010 |
986 |
|
|
|
|
9 |
B2 |
429 |
419 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6893.6 cm
-1
Scaled (by 0.9769) Zero Point Vibrational Energy (zpe) 6734.4 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.