Vibrational Frequencies calculated at CID/daug-cc-pVTZ
| 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' |
3571 |
3571 |
1.49 |
|
|
|
| 2 |
A' |
3232 |
3232 |
22.80 |
|
|
|
| 3 |
A' |
3134 |
3134 |
34.34 |
|
|
|
| 4 |
A' |
1771 |
1771 |
20.60 |
|
|
|
| 5 |
A' |
1534 |
1534 |
8.82 |
|
|
|
| 6 |
A' |
1415 |
1415 |
39.46 |
|
|
|
| 7 |
A' |
1102 |
1102 |
35.79 |
|
|
|
| 8 |
A" |
1198 |
1198 |
45.15 |
|
|
|
| 9 |
A" |
1142 |
1142 |
15.80 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9049.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9049.7 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.