Vibrational Frequencies calculated at CCSD=FULL/daug-cc-pVTZ
| 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 |
3193 |
3193 |
0.00 |
|
|
|
| 2 |
Ag |
1711 |
1711 |
0.00 |
|
|
|
| 3 |
Ag |
1388 |
1388 |
0.00 |
|
|
|
| 4 |
Au |
1072 |
1072 |
0.00 |
|
|
|
| 5 |
B1u |
3163 |
3163 |
13.17 |
|
|
|
| 6 |
B1u |
1495 |
1495 |
9.11 |
|
|
|
| 7 |
B2g |
978 |
978 |
0.00 |
|
|
|
| 8 |
B2u |
3254 |
3254 |
17.19 |
|
|
|
| 9 |
B2u |
831 |
831 |
0.00 |
|
|
|
| 10 |
B3g |
3223 |
3223 |
0.00 |
|
|
|
| 11 |
B3g |
1257 |
1257 |
0.00 |
|
|
|
| 12 |
B3u |
982 |
982 |
91.38 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11273.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11273.4 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.