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 |
A' |
3588 |
3426 |
|
|
|
|
2 |
A' |
3435 |
3280 |
|
|
|
|
3 |
A' |
2901 |
2770 |
|
|
|
|
4 |
A' |
1735 |
1657 |
|
|
|
|
5 |
A' |
1441 |
1376 |
|
|
|
|
6 |
A' |
1419 |
1355 |
|
|
|
|
7 |
A' |
1079 |
1030 |
|
|
|
|
8 |
A" |
1171 |
1118 |
|
|
|
|
9 |
A" |
802 |
765 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8785.6 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 8388.5 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.