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 |
A |
3771 |
3584 |
60.82 |
|
|
|
2 |
A |
3552 |
3375 |
22.44 |
|
|
|
3 |
A |
1658 |
1575 |
76.37 |
|
|
|
4 |
A |
1600 |
1520 |
129.85 |
|
|
|
5 |
A |
1286 |
1222 |
104.92 |
|
|
|
6 |
A |
1134 |
1078 |
58.66 |
|
|
|
7 |
A |
714 |
678 |
7.67 |
|
|
|
8 |
A |
642 |
610 |
1.72 |
|
|
|
9 |
A |
312 |
296 |
305.74 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7333.5 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 6969.1 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.