Vibrational Frequencies calculated at CID/daug-cc-pVDZ
| 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' |
3281 |
3281 |
0.01 |
|
|
|
| 2 |
A' |
1369 |
1369 |
14.00 |
|
|
|
| 3 |
A' |
1137 |
1137 |
171.38 |
|
|
|
| 4 |
A' |
659 |
659 |
19.76 |
|
|
|
| 5 |
A' |
379 |
379 |
0.36 |
|
|
|
| 6 |
A' |
183 |
183 |
0.00 |
|
|
|
| 7 |
A" |
1262 |
1262 |
83.84 |
|
|
|
| 8 |
A" |
776 |
776 |
164.04 |
|
|
|
| 9 |
A" |
316 |
316 |
0.41 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4681.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4681.4 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.