Vibrational Frequencies calculated at CCSD=FULL/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' |
893 |
847 |
110.70 |
|
|
|
| 2 |
A' |
615 |
583 |
12.60 |
|
|
|
| 3 |
A' |
387 |
367 |
15.58 |
|
|
|
| 4 |
A' |
170 |
161 |
7.30 |
|
|
|
| 5 |
A" |
760 |
720 |
556.08 |
|
|
|
| 6 |
A" |
490 |
465 |
1.47 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1657.4 cm
-1
Scaled (by 0.9481) Zero Point Vibrational Energy (zpe) 1571.4 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.