Vibrational Frequencies calculated at MP2=FULL/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' |
3154 |
2992 |
30.21 |
|
|
|
| 2 |
A' |
1525 |
1447 |
0.49 |
|
|
|
| 3 |
A' |
1440 |
1366 |
58.90 |
|
|
|
| 4 |
A' |
1123 |
1065 |
166.77 |
|
|
|
| 5 |
A' |
802 |
761 |
88.85 |
|
|
|
| 6 |
A' |
400 |
379 |
1.62 |
|
|
|
| 7 |
A" |
3235 |
3069 |
14.74 |
|
|
|
| 8 |
A" |
1298 |
1232 |
4.56 |
|
|
|
| 9 |
A" |
1044 |
990 |
0.47 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7010.7 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 6650.3 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.