Vibrational Frequencies calculated at CCSD=FULL/CEP-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 |
3106 |
3106 |
0.00 |
|
|
|
| 2 |
Ag |
1641 |
1641 |
0.00 |
|
|
|
| 3 |
Ag |
1340 |
1340 |
0.00 |
|
|
|
| 4 |
Au |
979 |
979 |
0.00 |
|
|
|
| 5 |
B1u |
3079 |
3079 |
42.25 |
|
|
|
| 6 |
B1u |
1469 |
1469 |
6.84 |
|
|
|
| 7 |
B2g |
762 |
762 |
0.00 |
|
|
|
| 8 |
B2u |
3201 |
3201 |
104.45 |
|
|
|
| 9 |
B2u |
801 |
801 |
1.28 |
|
|
|
| 10 |
B3g |
3157 |
3157 |
0.00 |
|
|
|
| 11 |
B3g |
1196 |
1196 |
0.00 |
|
|
|
| 12 |
B3u |
909 |
909 |
138.09 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10819.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10819.7 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.