Vibrational Frequencies calculated at MP3/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 |
2423 |
2289 |
70.82 |
|
|
|
| 2 |
A1 |
875 |
827 |
86.38 |
|
|
|
| 3 |
A1 |
429 |
405 |
77.49 |
|
|
|
| 4 |
E |
1025 |
968 |
262.62 |
|
|
|
| 4 |
E |
1025 |
968 |
262.62 |
|
|
|
| 5 |
E |
864 |
816 |
30.01 |
|
|
|
| 5 |
E |
864 |
816 |
30.01 |
|
|
|
| 6 |
E |
308 |
291 |
13.08 |
|
|
|
| 6 |
E |
308 |
291 |
13.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4059.8 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 3835.3 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.