Vibrational Frequencies calculated at CCSD/6-311G*
| 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 |
3866 |
3687 |
|
|
|
|
| 2 |
A |
3268 |
3116 |
|
|
|
|
| 3 |
A |
3125 |
2979 |
|
|
|
|
| 4 |
A |
1517 |
1446 |
|
|
|
|
| 5 |
A |
1414 |
1349 |
|
|
|
|
| 6 |
A |
1228 |
1171 |
|
|
|
|
| 7 |
A |
1095 |
1044 |
|
|
|
|
| 8 |
A |
719 |
686 |
|
|
|
|
| 9 |
A |
468 |
447 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8350.4 cm
-1
Scaled (by 0.9535) Zero Point Vibrational Energy (zpe) 7962.1 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.