Vibrational Frequencies calculated at CISD/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 |
Ag |
3533 |
3257 |
0.00 |
|
|
|
| 2 |
Ag |
2288 |
2109 |
0.00 |
|
|
|
| 3 |
Ag |
1226 |
1131 |
0.00 |
|
|
|
| 4 |
Ag |
964 |
888 |
0.00 |
|
|
|
| 5 |
Ag |
260 |
239 |
0.00 |
|
|
|
| 6 |
Au |
995 |
918 |
128.35 |
|
|
|
| 7 |
Au |
256 |
236 |
0.12 |
|
|
|
| 8 |
Bg |
676 |
623 |
0.00 |
|
|
|
| 9 |
Bu |
3534 |
3257 |
13.91 |
|
|
|
| 10 |
Bu |
1814 |
1672 |
188.49 |
|
|
|
| 11 |
Bu |
1211 |
1116 |
361.10 |
|
|
|
| 12 |
Bu |
295 |
272 |
6.83 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8525.1 cm
-1
Scaled (by 0.9218) Zero Point Vibrational Energy (zpe) 7858.4 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.