Vibrational Frequencies calculated at MP2/6-311G*
| 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 |
3459 |
3287 |
2.08 |
|
|
|
| 2 |
A1 |
1703 |
1618 |
46.42 |
|
|
|
| 3 |
A1 |
1468 |
1395 |
15.08 |
|
|
|
| 4 |
B1 |
766 |
728 |
216.84 |
|
|
|
| 5 |
B2 |
3549 |
3372 |
12.29 |
|
|
|
| 6 |
B2 |
1062 |
1009 |
0.48 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6003.4 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 5705.1 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.