Vibrational Frequencies calculated at CCSD(T)=FULL/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 |
1930 |
1859 |
|
|
|
|
| 2 |
A1 |
1090 |
1050 |
|
|
|
|
| 3 |
A1 |
847 |
815 |
|
|
|
|
| 4 |
A1 |
728 |
701 |
|
|
|
|
| 5 |
B1 |
779 |
751 |
|
|
|
|
| 6 |
B1 |
292 |
281 |
|
|
|
|
| 7 |
B2 |
1208 |
1163 |
|
|
|
|
| 8 |
B2 |
734 |
707 |
|
|
|
|
| 9 |
B2 |
569 |
548 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4088.3 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 3937.8 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.