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' |
3114 |
3020 |
|
|
|
|
| 2 |
A' |
1502 |
1457 |
|
|
|
|
| 3 |
A' |
1329 |
1289 |
|
|
|
|
| 4 |
A' |
1090 |
1057 |
|
|
|
|
| 5 |
A' |
565 |
548 |
|
|
|
|
| 6 |
A' |
268 |
260 |
|
|
|
|
| 7 |
A" |
3198 |
3101 |
|
|
|
|
| 8 |
A" |
1261 |
1223 |
|
|
|
|
| 9 |
A" |
875 |
849 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6601.0 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 6401.0 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.