Vibrational Frequencies calculated at QCISD/cc-pCVDZ
| 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 |
3177 |
3177 |
0.00 |
|
|
|
| 2 |
Ag |
1696 |
1696 |
0.00 |
|
|
|
| 3 |
Ag |
1373 |
1373 |
0.00 |
|
|
|
| 4 |
Au |
1047 |
1047 |
0.00 |
|
|
|
| 5 |
B1u |
3156 |
3156 |
13.73 |
|
|
|
| 6 |
B1u |
1473 |
1473 |
5.61 |
|
|
|
| 7 |
B2g |
937 |
937 |
0.00 |
|
|
|
| 8 |
B2u |
3271 |
3271 |
23.82 |
|
|
|
| 9 |
B2u |
829 |
829 |
0.20 |
|
|
|
| 10 |
B3g |
3246 |
3246 |
0.00 |
|
|
|
| 11 |
B3g |
1240 |
1240 |
0.00 |
|
|
|
| 12 |
B3u |
968 |
968 |
76.38 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11206.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11206.3 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.