Vibrational Frequencies calculated at CID/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 |
A' |
3250 |
3002 |
32.57 |
|
|
|
| 2 |
A' |
2003 |
1850 |
275.49 |
|
|
|
| 3 |
A' |
1469 |
1357 |
4.69 |
|
|
|
| 4 |
A' |
1186 |
1096 |
247.95 |
|
|
|
| 5 |
A' |
697 |
644 |
24.53 |
|
|
|
| 6 |
A" |
1097 |
1013 |
1.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4850.7 cm
-1
Scaled (by 0.9237) Zero Point Vibrational Energy (zpe) 4480.6 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.