Vibrational Frequencies calculated at MP2=FULL/CEP-31G
| 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 |
3024 |
2851 |
0.00 |
|
|
|
| 2 |
E |
1552 |
1463 |
0.00 |
|
|
|
| 2 |
E |
1552 |
1463 |
0.00 |
|
|
|
| 3 |
T2 |
3170 |
2989 |
65.96 |
|
|
|
| 3 |
T2 |
3170 |
2989 |
65.96 |
|
|
|
| 3 |
T2 |
3170 |
2989 |
65.96 |
|
|
|
| 4 |
T2 |
1400 |
1319 |
22.45 |
|
|
|
| 4 |
T2 |
1400 |
1319 |
22.45 |
|
|
|
| 4 |
T2 |
1400 |
1319 |
22.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9918.4 cm
-1
Scaled (by 0.9427) Zero Point Vibrational Energy (zpe) 9350.1 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.