Vibrational Frequencies calculated at CCSD=FULL/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 |
3184 |
3184 |
0.00 |
|
|
|
| 2 |
Ag |
1702 |
1702 |
0.00 |
|
|
|
| 3 |
Ag |
1377 |
1377 |
0.00 |
|
|
|
| 4 |
Au |
1049 |
1049 |
0.00 |
|
|
|
| 5 |
B1u |
3164 |
3164 |
13.96 |
|
|
|
| 6 |
B1u |
1475 |
1475 |
5.78 |
|
|
|
| 7 |
B2g |
942 |
942 |
0.00 |
|
|
|
| 8 |
B2u |
3279 |
3279 |
23.00 |
|
|
|
| 9 |
B2u |
831 |
831 |
0.21 |
|
|
|
| 10 |
B3g |
3253 |
3253 |
0.00 |
|
|
|
| 11 |
B3g |
1242 |
1242 |
0.00 |
|
|
|
| 12 |
B3u |
971 |
971 |
76.92 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11233.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11233.6 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.