Vibrational Frequencies calculated at CBS-Q
| 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 |
3436 |
3436 |
0.00 |
|
|
|
| 2 |
Ag |
1954 |
1954 |
0.00 |
|
|
|
| 3 |
Ag |
1418 |
1418 |
0.00 |
|
|
|
| 4 |
Ag |
1254 |
1254 |
0.00 |
|
|
|
| 5 |
Ag |
602 |
602 |
0.00 |
|
|
|
| 6 |
Au |
1043 |
1043 |
59.27 |
|
|
|
| 7 |
Au |
380 |
380 |
11.04 |
|
|
|
| 8 |
Bg |
948 |
948 |
0.00 |
|
|
|
| 9 |
Bu |
3426 |
3426 |
11.74 |
|
|
|
| 10 |
Bu |
1415 |
1415 |
38.58 |
|
|
|
| 11 |
Bu |
1270 |
1270 |
363.07 |
|
|
|
| 12 |
Bu |
343 |
343 |
17.47 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8743.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8743.5 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.