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 |
3020 |
2870 |
66.85 |
|
|
|
| 2 |
A1 |
1165 |
1107 |
3.29 |
|
|
|
| 3 |
A1 |
624 |
593 |
25.37 |
|
|
|
| 4 |
E |
3104 |
2949 |
47.47 |
|
|
|
| 4 |
E |
3104 |
2949 |
47.47 |
|
|
|
| 5 |
E |
1510 |
1435 |
2.14 |
|
|
|
| 5 |
E |
1510 |
1435 |
2.14 |
|
|
|
| 6 |
E |
464 |
441 |
196.65 |
|
|
|
| 6 |
E |
464 |
441 |
196.65 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7481.6 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 7109.8 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.