Vibrational Frequencies calculated at ROMP2/6-31G
| 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 |
3087 |
3087 |
|
|
|
|
| 2 |
A1 |
1616 |
1616 |
|
|
|
|
| 3 |
A1 |
1452 |
1452 |
|
|
|
|
| 4 |
B1 |
1034 |
1034 |
|
|
|
|
| 5 |
B2 |
3175 |
3175 |
|
|
|
|
| 6 |
B2 |
999 |
999 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5680.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5680.3 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.