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 |
3280 |
3280 |
10.14 |
|
|
|
| 2 |
A1 |
1800 |
1800 |
45.23 |
|
|
|
| 3 |
A1 |
1307 |
1307 |
35.00 |
|
|
|
| 4 |
A1 |
1039 |
1039 |
66.16 |
|
|
|
| 5 |
A1 |
237 |
237 |
2.79 |
|
|
|
| 6 |
A2 |
867 |
867 |
0.00 |
|
|
|
| 7 |
A2 |
508 |
508 |
0.00 |
|
|
|
| 8 |
B1 |
802 |
802 |
34.73 |
|
|
|
| 9 |
B2 |
3255 |
3255 |
1.46 |
|
|
|
| 10 |
B2 |
1421 |
1421 |
38.37 |
|
|
|
| 11 |
B2 |
1171 |
1171 |
107.37 |
|
|
|
| 12 |
B2 |
782 |
782 |
31.81 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8234.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8234.1 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.