Vibrational Frequencies calculated at CCSD(T)/cc-pVDZ
| 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 |
2864 |
2803 |
|
|
|
|
| 2 |
A1 |
1490 |
1459 |
|
|
|
|
| 3 |
A1 |
1216 |
1190 |
|
|
|
|
| 4 |
A1 |
487 |
476 |
|
|
|
|
| 5 |
E |
2883 |
2822 |
|
|
|
|
| 5 |
E |
2883 |
2822 |
|
|
|
|
| 6 |
E |
1481 |
1450 |
|
|
|
|
| 6 |
E |
1481 |
1450 |
|
|
|
|
| 7 |
E |
1185 |
1160 |
|
|
|
|
| 7 |
E |
1185 |
1160 |
|
|
|
|
| 8 |
E |
132 |
129 |
|
|
|
|
| 8 |
E |
132 |
129 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8709.8 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 8525.2 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.