Vibrational Frequencies calculated at MP4/cc-pVDZ
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' |
3242 |
3135 |
|
|
|
|
2 |
A' |
3140 |
3036 |
|
|
|
|
3 |
A' |
2385 |
2306 |
|
|
|
|
4 |
A' |
1446 |
1398 |
|
|
|
|
5 |
A' |
1030 |
996 |
|
|
|
|
6 |
A' |
966 |
934 |
|
|
|
|
7 |
A' |
745 |
720 |
|
|
|
|
8 |
A" |
891 |
861 |
|
|
|
|
9 |
A" |
836 |
808 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7340.1 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 7097.2 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.