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 |
3160 |
3044 |
|
|
|
|
2 |
A1 |
2820 |
2716 |
|
|
|
|
3 |
A1 |
1474 |
1420 |
|
|
|
|
4 |
A1 |
1257 |
1211 |
|
|
|
|
5 |
B1 |
713 |
687 |
|
|
|
|
6 |
B1 |
557 |
536 |
|
|
|
|
7 |
B2 |
3245 |
3126 |
|
|
|
|
8 |
B2 |
914 |
880 |
|
|
|
|
9 |
B2 |
405 |
391 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7272.3 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 7004.7 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.