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 |
A1 |
3229 |
3229 |
13.87 |
|
|
|
| 2 |
A1 |
2195 |
2195 |
452.99 |
|
|
|
| 3 |
A1 |
1465 |
1465 |
34.52 |
|
|
|
| 4 |
A1 |
1212 |
1212 |
2.57 |
|
|
|
| 5 |
B1 |
575 |
575 |
4.74 |
|
|
|
| 6 |
B1 |
360 |
360 |
146.41 |
|
|
|
| 7 |
B2 |
3365 |
3365 |
0.83 |
|
|
|
| 8 |
B2 |
1136 |
1136 |
2.60 |
|
|
|
| 9 |
B2 |
419 |
419 |
0.61 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6977.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6977.6 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.