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' |
3248 |
3115 |
|
|
|
|
| 2 |
A' |
3183 |
3053 |
|
|
|
|
| 3 |
A' |
3082 |
2956 |
|
|
|
|
| 4 |
A' |
1818 |
1743 |
|
|
|
|
| 5 |
A' |
1426 |
1368 |
|
|
|
|
| 6 |
A' |
1090 |
1045 |
|
|
|
|
| 7 |
A' |
745 |
715 |
|
|
|
|
| 8 |
A" |
1019 |
977 |
|
|
|
|
| 9 |
A" |
940 |
902 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8275.6 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 7936.3 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.