Vibrational Frequencies calculated at CCSD=FULL/daug-cc-pVTZ
| 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 |
2334 |
2334 |
55.57 |
|
|
|
| 2 |
A1 |
990 |
990 |
131.92 |
|
|
|
| 3 |
A1 |
884 |
884 |
70.62 |
|
|
|
| 4 |
A1 |
319 |
319 |
19.37 |
|
|
|
| 5 |
A2 |
742 |
742 |
0.00 |
|
|
|
| 6 |
B1 |
2345 |
2345 |
136.51 |
|
|
|
| 7 |
B1 |
724 |
724 |
136.58 |
|
|
|
| 8 |
B2 |
994 |
994 |
307.61 |
|
|
|
| 9 |
B2 |
923 |
923 |
0.97 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5127.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5127.4 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.