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' |
3754 |
3511 |
122.16 |
|
|
|
| 2 |
A' |
2383 |
2228 |
59.31 |
|
|
|
| 3 |
A' |
1285 |
1202 |
133.12 |
|
|
|
| 4 |
A' |
1043 |
975 |
68.82 |
|
|
|
| 5 |
A' |
371 |
347 |
18.09 |
|
|
|
| 6 |
A" |
393 |
367 |
2.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4614.2 cm
-1
Scaled (by 0.9352) Zero Point Vibrational Energy (zpe) 4315.2 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.