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' |
3100 |
2973 |
|
|
|
|
| 2 |
A' |
1512 |
1450 |
|
|
|
|
| 3 |
A' |
1338 |
1283 |
|
|
|
|
| 4 |
A' |
1085 |
1041 |
|
|
|
|
| 5 |
A' |
563 |
540 |
|
|
|
|
| 6 |
A' |
266 |
256 |
|
|
|
|
| 7 |
A" |
3188 |
3057 |
|
|
|
|
| 8 |
A" |
1264 |
1212 |
|
|
|
|
| 9 |
A" |
886 |
849 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6600.7 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 6330.1 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.