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 |
3665 |
3665 |
27.89 |
|
|
|
| 2 |
A1 |
2595 |
2595 |
98.87 |
|
|
|
| 3 |
A1 |
1682 |
1682 |
77.81 |
|
|
|
| 4 |
A1 |
1383 |
1383 |
72.49 |
|
|
|
| 5 |
A1 |
1171 |
1171 |
0.76 |
|
|
|
| 6 |
A2 |
861 |
861 |
0.00 |
|
|
|
| 7 |
B1 |
1035 |
1035 |
27.93 |
|
|
|
| 8 |
B1 |
648 |
648 |
179.62 |
|
|
|
| 9 |
B2 |
3739 |
3739 |
30.61 |
|
|
|
| 10 |
B2 |
2673 |
2673 |
162.79 |
|
|
|
| 11 |
B2 |
1146 |
1146 |
35.39 |
|
|
|
| 12 |
B2 |
739 |
739 |
0.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10669.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10669.1 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.