Vibrational Frequencies calculated at MP2/cc-pVQZ
| 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 |
3883 |
3683 |
74.81 |
|
|
|
| 2 |
A |
3351 |
3178 |
7.18 |
|
|
|
| 3 |
A |
3199 |
3034 |
18.89 |
|
|
|
| 4 |
A |
1514 |
1436 |
8.51 |
|
|
|
| 5 |
A |
1376 |
1305 |
23.68 |
|
|
|
| 6 |
A |
1224 |
1161 |
108.81 |
|
|
|
| 7 |
A |
1073 |
1017 |
50.67 |
|
|
|
| 8 |
A |
622 |
590 |
75.59 |
|
|
|
| 9 |
A |
435 |
412 |
64.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8338.1 cm
-1
Scaled (by 0.9484) Zero Point Vibrational Energy (zpe) 7907.9 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.