Vibrational Frequencies calculated at CCSD=FULL/aug-cc-pVDZ
| 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 |
3174 |
3174 |
0.00 |
|
|
|
| 2 |
Ag |
1686 |
1686 |
0.00 |
|
|
|
| 3 |
Ag |
1373 |
1373 |
0.00 |
|
|
|
| 4 |
Au |
1033 |
1033 |
0.00 |
|
|
|
| 5 |
B1u |
3155 |
3155 |
15.41 |
|
|
|
| 6 |
B1u |
1474 |
1474 |
6.99 |
|
|
|
| 7 |
B2g |
957 |
957 |
0.00 |
|
|
|
| 8 |
B2u |
3269 |
3269 |
23.28 |
|
|
|
| 9 |
B2u |
824 |
824 |
0.01 |
|
|
|
| 10 |
B3g |
3241 |
3241 |
0.00 |
|
|
|
| 11 |
B3g |
1235 |
1235 |
0.00 |
|
|
|
| 12 |
B3u |
978 |
978 |
91.19 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11199.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11199.5 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.