Vibrational Frequencies calculated at CCSD=FULL/CEP-121G
| 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 |
3051 |
3051 |
0.00 |
|
|
|
| 2 |
Ag |
1622 |
1622 |
0.00 |
|
|
|
| 3 |
Ag |
1344 |
1344 |
0.00 |
|
|
|
| 4 |
Au |
997 |
997 |
0.00 |
|
|
|
| 5 |
B1u |
3024 |
3024 |
25.89 |
|
|
|
| 6 |
B1u |
1478 |
1478 |
5.83 |
|
|
|
| 7 |
B2g |
796 |
796 |
0.00 |
|
|
|
| 8 |
B2u |
3148 |
3148 |
60.30 |
|
|
|
| 9 |
B2u |
822 |
822 |
1.33 |
|
|
|
| 10 |
B3g |
3118 |
3118 |
0.00 |
|
|
|
| 11 |
B3g |
1227 |
1227 |
0.00 |
|
|
|
| 12 |
B3u |
930 |
930 |
115.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10778.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10778.3 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.