Vibrational Frequencies calculated at CID/cc-pV(T+d)Z
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' |
1281 |
1281 |
102.51 |
|
|
|
2 |
A' |
742 |
742 |
227.97 |
|
|
|
3 |
A' |
639 |
639 |
68.65 |
|
|
|
4 |
A' |
483 |
483 |
0.41 |
|
|
|
5 |
A" |
1443 |
1443 |
314.07 |
|
|
|
6 |
A" |
431 |
431 |
12.47 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2509.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2509.3 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.