Vibrational Frequencies calculated at CCSD/6-31+G**
| 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 |
3228 |
3014 |
0.00 |
|
|
|
| 2 |
Ag |
1720 |
1606 |
0.00 |
|
|
|
| 3 |
Ag |
1402 |
1309 |
0.00 |
|
|
|
| 4 |
Au |
1054 |
985 |
0.00 |
|
|
|
| 5 |
B1u |
3210 |
2997 |
17.91 |
|
|
|
| 6 |
B1u |
1518 |
1417 |
4.97 |
|
|
|
| 7 |
B2g |
922 |
861 |
0.00 |
|
|
|
| 8 |
B2u |
3319 |
3100 |
29.06 |
|
|
|
| 9 |
B2u |
848 |
792 |
0.28 |
|
|
|
| 10 |
B3g |
3295 |
3077 |
0.00 |
|
|
|
| 11 |
B3g |
1266 |
1182 |
0.00 |
|
|
|
| 12 |
B3u |
979 |
915 |
111.16 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11380.7 cm
-1
Scaled (by 0.9338) Zero Point Vibrational Energy (zpe) 10627.3 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.