Vibrational Frequencies calculated at CCSD/6-311G**
| 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' |
3636 |
3636 |
20.87 |
|
|
|
| 2 |
A' |
3491 |
3491 |
0.50 |
|
|
|
| 3 |
A' |
2925 |
2925 |
130.10 |
|
|
|
| 4 |
A' |
1717 |
1717 |
20.63 |
|
|
|
| 5 |
A' |
1445 |
1445 |
18.64 |
|
|
|
| 6 |
A' |
1429 |
1429 |
17.53 |
|
|
|
| 7 |
A' |
1082 |
1082 |
17.26 |
|
|
|
| 8 |
A" |
1170 |
1170 |
11.54 |
|
|
|
| 9 |
A" |
786 |
786 |
174.21 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8840.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8840.0 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.