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 |
A1 |
1511 |
1436 |
2.80 |
|
|
|
| 2 |
A1 |
775 |
736 |
52.15 |
|
|
|
| 3 |
A1 |
324 |
308 |
3.78 |
|
|
|
| 4 |
A1 |
168 |
160 |
1.33 |
|
|
|
| 5 |
A2 |
195 |
185 |
0.00 |
|
|
|
| 6 |
B1 |
112 |
106 |
0.33 |
|
|
|
| 7 |
B2 |
1472 |
1399 |
347.91 |
|
|
|
| 8 |
B2 |
575 |
546 |
1.76 |
|
|
|
| 9 |
B2 |
248 |
236 |
771.87 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2690.3 cm
-1
Scaled (by 0.9501) Zero Point Vibrational Energy (zpe) 2556.0 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.