Vibrational Frequencies calculated at MP2=FULL/6-31G
| 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' |
3256 |
3094 |
3.09 |
|
|
|
| 2 |
A' |
1328 |
1262 |
18.33 |
|
|
|
| 3 |
A' |
1044 |
992 |
142.70 |
|
|
|
| 4 |
A' |
676 |
643 |
46.24 |
|
|
|
| 5 |
A' |
411 |
390 |
3.40 |
|
|
|
| 6 |
A' |
261 |
248 |
0.60 |
|
|
|
| 7 |
A" |
1283 |
1219 |
62.00 |
|
|
|
| 8 |
A" |
739 |
702 |
218.67 |
|
|
|
| 9 |
A" |
339 |
322 |
0.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4668.3 cm
-1
Scaled (by 0.9501) Zero Point Vibrational Energy (zpe) 4435.4 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.