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' |
3221 |
3055 |
9.84 |
|
|
|
| 2 |
A' |
1383 |
1312 |
25.66 |
|
|
|
| 3 |
A' |
1127 |
1069 |
196.90 |
|
|
|
| 4 |
A' |
769 |
730 |
40.20 |
|
|
|
| 5 |
A' |
473 |
448 |
1.57 |
|
|
|
| 6 |
A' |
295 |
280 |
0.05 |
|
|
|
| 7 |
A" |
1327 |
1259 |
75.07 |
|
|
|
| 8 |
A" |
854 |
810 |
252.06 |
|
|
|
| 9 |
A" |
384 |
364 |
0.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4915.9 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 4663.2 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.