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' |
3042 |
2867 |
38.38 |
|
|
|
| 2 |
A' |
1797 |
1693 |
199.10 |
|
|
|
| 3 |
A' |
1391 |
1311 |
7.06 |
|
|
|
| 4 |
A' |
1075 |
1013 |
82.13 |
|
|
|
| 5 |
A' |
506 |
477 |
37.89 |
|
|
|
| 6 |
A" |
1022 |
963 |
0.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4416.1 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 4160.8 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.