Vibrational Frequencies calculated at MP4/cc-pVTZ
| 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 |
2662 |
2580 |
|
|
|
|
| 2 |
A1 |
2182 |
2115 |
|
|
|
|
| 3 |
A1 |
1432 |
1388 |
|
|
|
|
| 4 |
A1 |
1031 |
1000 |
|
|
|
|
| 5 |
A2 |
841 |
815 |
|
|
|
|
| 6 |
B1 |
2786 |
2701 |
|
|
|
|
| 7 |
B1 |
1069 |
1036 |
|
|
|
|
| 8 |
B2 |
2082 |
2018 |
|
|
|
|
| 9 |
B2 |
728 |
705 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7406.0 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 7177.9 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.