Vibrational Frequencies calculated at CCSD(T)/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 |
A' |
3848 |
3751 |
|
|
|
|
| 2 |
A' |
3254 |
3172 |
|
|
|
|
| 3 |
A' |
3123 |
3044 |
|
|
|
|
| 4 |
A' |
1684 |
1641 |
|
|
|
|
| 5 |
A' |
1459 |
1422 |
|
|
|
|
| 6 |
A' |
1354 |
1320 |
|
|
|
|
| 7 |
A' |
1183 |
1153 |
|
|
|
|
| 8 |
A' |
922 |
899 |
|
|
|
|
| 9 |
A' |
528 |
515 |
|
|
|
|
| 10 |
A" |
969 |
945 |
|
|
|
|
| 11 |
A" |
792 |
772 |
|
|
|
|
| 12 |
A" |
414 |
404 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9764.7 cm
-1
Scaled (by 0.9748) Zero Point Vibrational Energy (zpe) 9518.7 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.