Vibrational Frequencies calculated at CCSD=FULL/SDD
| 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 |
3113 |
3113 |
0.00 |
|
|
|
| 2 |
Ag |
1642 |
1642 |
0.00 |
|
|
|
| 3 |
Ag |
1361 |
1361 |
0.00 |
|
|
|
| 4 |
Au |
1007 |
1007 |
0.00 |
|
|
|
| 5 |
B1u |
3085 |
3085 |
27.38 |
|
|
|
| 6 |
B1u |
1493 |
1493 |
10.02 |
|
|
|
| 7 |
B2g |
815 |
815 |
0.00 |
|
|
|
| 8 |
B2u |
3213 |
3213 |
64.14 |
|
|
|
| 9 |
B2u |
818 |
818 |
2.37 |
|
|
|
| 10 |
B3g |
3179 |
3179 |
0.00 |
|
|
|
| 11 |
B3g |
1248 |
1248 |
0.00 |
|
|
|
| 12 |
B3u |
939 |
939 |
123.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10956.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10956.5 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.