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' |
3260 |
3161 |
|
|
|
|
| 2 |
A' |
3219 |
3121 |
|
|
|
|
| 3 |
A' |
3158 |
3062 |
|
|
|
|
| 4 |
A' |
1626 |
1577 |
|
|
|
|
| 5 |
A' |
1405 |
1363 |
|
|
|
|
| 6 |
A' |
1286 |
1247 |
|
|
|
|
| 7 |
A' |
1020 |
989 |
|
|
|
|
| 8 |
A' |
619 |
600 |
|
|
|
|
| 9 |
A' |
346 |
336 |
|
|
|
|
| 10 |
A" |
962 |
933 |
|
|
|
|
| 11 |
A" |
871 |
844 |
|
|
|
|
| 12 |
A" |
578 |
560 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9175.0 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8897.0 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.