Vibrational Frequencies calculated at MP2/cc-pVDZ
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 |
1183 |
1126 |
231.76 |
|
|
|
2 |
A1 |
508 |
484 |
23.38 |
|
|
|
3 |
A1 |
301 |
287 |
0.44 |
|
|
|
4 |
B1 |
481 |
458 |
0.91 |
|
|
|
5 |
B2 |
823 |
784 |
254.12 |
|
|
|
6 |
B2 |
309 |
294 |
0.05 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1802.0 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 1716.4 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.