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 |
3109 |
3109 |
38.24 |
|
|
|
| 2 |
A1 |
1587 |
1587 |
0.52 |
|
|
|
| 3 |
A1 |
1159 |
1159 |
101.56 |
|
|
|
| 4 |
A1 |
545 |
545 |
5.52 |
|
|
|
| 5 |
A2 |
1311 |
1311 |
0.00 |
|
|
|
| 6 |
B1 |
3174 |
3174 |
27.72 |
|
|
|
| 7 |
B1 |
1217 |
1217 |
17.98 |
|
|
|
| 8 |
B2 |
1496 |
1496 |
18.22 |
|
|
|
| 9 |
B2 |
1150 |
1150 |
243.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7373.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7373.6 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.