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' |
754 |
716 |
0.00 |
|
|
|
| 2 |
A1' |
667 |
633 |
0.00 |
|
|
|
| 3 |
A2" |
812 |
771 |
176.25 |
|
|
|
| 4 |
A2" |
407 |
387 |
64.15 |
|
|
|
| 5 |
E' |
835 |
793 |
126.19 |
|
|
|
| 5 |
E' |
835 |
793 |
126.19 |
|
|
|
| 6 |
E' |
376 |
357 |
51.12 |
|
|
|
| 6 |
E' |
376 |
357 |
51.12 |
|
|
|
| 7 |
E' |
133 |
126 |
0.39 |
|
|
|
| 7 |
E' |
133 |
126 |
0.39 |
|
|
|
| 8 |
E" |
392 |
372 |
0.00 |
|
|
|
| 8 |
E" |
392 |
372 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3055.7 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 2901.4 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.