Vibrational Frequencies calculated at CCSD/6-31G*
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
3406 |
3216 |
0.00 |
|
|
|
| 2 |
Ag |
2109 |
1992 |
0.00 |
|
|
|
| 3 |
Ag |
1220 |
1152 |
0.00 |
|
|
|
| 4 |
Ag |
936 |
884 |
0.00 |
|
|
|
| 5 |
Ag |
341 |
322 |
0.00 |
|
|
|
| 6 |
Au |
963 |
910 |
144.91 |
|
|
|
| 7 |
Au |
245 |
232 |
0.06 |
|
|
|
| 8 |
Bg |
701 |
662 |
0.00 |
|
|
|
| 9 |
Bu |
3407 |
3217 |
1.31 |
|
|
|
| 10 |
Bu |
1755 |
1657 |
120.90 |
|
|
|
| 11 |
Bu |
1177 |
1111 |
432.98 |
|
|
|
| 12 |
Bu |
286 |
270 |
5.82 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8272.4 cm
-1
Scaled (by 0.9443) Zero Point Vibrational Energy (zpe) 7811.7 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.