Vibrational Frequencies calculated at MP2/6-31G**
| 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' |
3850 |
3606 |
149.51 |
|
|
|
| 2 |
A' |
2267 |
2123 |
62.93 |
|
|
|
| 3 |
A' |
1253 |
1173 |
109.64 |
|
|
|
| 4 |
A' |
1078 |
1010 |
62.56 |
|
|
|
| 5 |
A' |
419 |
392 |
16.05 |
|
|
|
| 6 |
A" |
458 |
429 |
3.86 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4662.2 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 4366.2 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.