Vibrational Frequencies calculated at CCSD=FULL/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 |
3202 |
3036 |
0.00 |
|
|
|
| 2 |
Ag |
1715 |
1626 |
0.00 |
|
|
|
| 3 |
Ag |
1398 |
1325 |
0.00 |
|
|
|
| 4 |
Au |
1068 |
1013 |
0.00 |
|
|
|
| 5 |
B1u |
3178 |
3013 |
13.29 |
|
|
|
| 6 |
B1u |
1503 |
1425 |
9.11 |
|
|
|
| 7 |
B2g |
983 |
932 |
0.00 |
|
|
|
| 8 |
B2u |
3268 |
3098 |
19.27 |
|
|
|
| 9 |
B2u |
839 |
795 |
0.05 |
|
|
|
| 10 |
B3g |
3235 |
3067 |
0.00 |
|
|
|
| 11 |
B3g |
1258 |
1193 |
0.00 |
|
|
|
| 12 |
B3u |
999 |
947 |
91.83 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11322.6 cm
-1
Scaled (by 0.9481) Zero Point Vibrational Energy (zpe) 10735.0 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.