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 |
3157 |
3157 |
13.85 |
|
|
|
| 2 |
A1 |
1483 |
1483 |
0.63 |
|
|
|
| 3 |
A1 |
741 |
741 |
12.05 |
|
|
|
| 4 |
A1 |
299 |
299 |
0.33 |
|
|
|
| 5 |
A2 |
1228 |
1228 |
0.00 |
|
|
|
| 6 |
B1 |
3228 |
3228 |
1.66 |
|
|
|
| 7 |
B1 |
925 |
925 |
2.72 |
|
|
|
| 8 |
B2 |
1359 |
1359 |
59.13 |
|
|
|
| 9 |
B2 |
807 |
807 |
124.60 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6613.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6613.8 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.