Vibrational Frequencies calculated at CCSD=FULL/aug-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' |
3753 |
3753 |
93.45 |
|
|
|
| 2 |
A' |
1792 |
1792 |
442.79 |
|
|
|
| 3 |
A' |
1393 |
1393 |
293.40 |
|
|
|
| 4 |
A' |
1368 |
1368 |
74.67 |
|
|
|
| 5 |
A' |
939 |
939 |
148.06 |
|
|
|
| 6 |
A' |
681 |
681 |
1.56 |
|
|
|
| 7 |
A' |
595 |
595 |
9.62 |
|
|
|
| 8 |
A" |
795 |
795 |
9.77 |
|
|
|
| 9 |
A" |
485 |
485 |
116.88 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5900.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5900.5 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.