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 |
A1 |
1350 |
1273 |
165.05 |
|
|
|
| 2 |
A1 |
810 |
764 |
220.33 |
|
|
|
| 3 |
A1 |
557 |
525 |
80.28 |
|
|
|
| 4 |
B1 |
733 |
691 |
11.33 |
|
|
|
| 5 |
B2 |
2010 |
1895 |
224.28 |
|
|
|
| 6 |
B2 |
546 |
515 |
7.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3002.5 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 2831.4 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.