Vibrational Frequencies calculated at MP2/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 |
1174 |
1115 |
241.56 |
|
|
|
| 2 |
A1 |
511 |
486 |
21.62 |
|
|
|
| 3 |
A1 |
298 |
283 |
0.32 |
|
|
|
| 4 |
B1 |
486 |
461 |
1.14 |
|
|
|
| 5 |
B2 |
822 |
780 |
240.17 |
|
|
|
| 6 |
B2 |
307 |
291 |
0.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1798.6 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1707.8 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.