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 |
2919 |
2829 |
|
|
|
|
2 |
A1 |
1745 |
1691 |
|
|
|
|
3 |
A1 |
1532 |
1484 |
|
|
|
|
4 |
B1 |
1188 |
1152 |
|
|
|
|
5 |
B2 |
2983 |
2892 |
|
|
|
|
6 |
B2 |
1266 |
1227 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5816.2 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 5637.1 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.