Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
1852 |
1758 |
281.73 |
|
|
|
| 2 |
A' |
1813 |
1722 |
230.10 |
|
|
|
| 3 |
A' |
1324 |
1257 |
292.82 |
|
|
|
| 4 |
A' |
797 |
756 |
104.97 |
|
|
|
| 5 |
A' |
660 |
627 |
0.18 |
|
|
|
| 6 |
A' |
314 |
298 |
6.29 |
|
|
|
| 7 |
A' |
200 |
190 |
0.38 |
|
|
|
| 8 |
A" |
460 |
437 |
5.46 |
|
|
|
| 9 |
A" |
170 |
161 |
0.19 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3795.0 cm
-1
Scaled (by 0.9494) Zero Point Vibrational Energy (zpe) 3603.0 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.