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' |
3448 |
3448 |
1.86 |
|
|
|
| 2 |
A' |
3182 |
3182 |
25.15 |
|
|
|
| 3 |
A' |
3076 |
3076 |
38.08 |
|
|
|
| 4 |
A' |
1695 |
1695 |
14.06 |
|
|
|
| 5 |
A' |
1487 |
1487 |
5.47 |
|
|
|
| 6 |
A' |
1384 |
1384 |
35.73 |
|
|
|
| 7 |
A' |
1075 |
1075 |
31.98 |
|
|
|
| 8 |
A" |
1155 |
1155 |
45.57 |
|
|
|
| 9 |
A" |
1081 |
1081 |
13.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8792.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8792.1 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.