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' |
3212 |
3114 |
|
|
|
|
| 2 |
A' |
3084 |
2991 |
|
|
|
|
| 3 |
A' |
2136 |
2071 |
|
|
|
|
| 4 |
A' |
1640 |
1590 |
|
|
|
|
| 5 |
A' |
1489 |
1444 |
|
|
|
|
| 6 |
A' |
1223 |
1186 |
|
|
|
|
| 7 |
A' |
919 |
891 |
|
|
|
|
| 8 |
A' |
608 |
589 |
|
|
|
|
| 9 |
A' |
242 |
235 |
|
|
|
|
| 10 |
A" |
1065 |
1033 |
|
|
|
|
| 11 |
A" |
767 |
744 |
|
|
|
|
| 12 |
A" |
351 |
340 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8368.3 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8114.7 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.