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 |
3017 |
2924 |
|
|
|
|
| 2 |
A1 |
2033 |
1970 |
|
|
|
|
| 3 |
A1 |
1406 |
1362 |
|
|
|
|
| 4 |
B1 |
1128 |
1093 |
|
|
|
|
| 5 |
B2 |
3080 |
2985 |
|
|
|
|
| 6 |
B2 |
950 |
921 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5806.3 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 5627.5 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.