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' |
3428 |
3287 |
|
|
|
|
2 |
A' |
3148 |
3019 |
|
|
|
|
3 |
A' |
3034 |
2909 |
|
|
|
|
4 |
A' |
1666 |
1597 |
|
|
|
|
5 |
A' |
1487 |
1426 |
|
|
|
|
6 |
A' |
1410 |
1352 |
|
|
|
|
7 |
A' |
1091 |
1046 |
|
|
|
|
8 |
A" |
1177 |
1128 |
|
|
|
|
9 |
A" |
1068 |
1024 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8752.8 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 8394.0 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.