Vibrational Frequencies calculated at CCSD/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 |
3182 |
3014 |
0.00 |
|
|
|
| 2 |
Ag |
1700 |
1610 |
0.00 |
|
|
|
| 3 |
Ag |
1374 |
1302 |
0.00 |
|
|
|
| 4 |
Au |
1046 |
990 |
0.00 |
|
|
|
| 5 |
B1u |
3161 |
2995 |
14.44 |
|
|
|
| 6 |
B1u |
1471 |
1394 |
5.45 |
|
|
|
| 7 |
B2g |
937 |
888 |
0.00 |
|
|
|
| 8 |
B2u |
3275 |
3102 |
23.49 |
|
|
|
| 9 |
B2u |
828 |
784 |
0.18 |
|
|
|
| 10 |
B3g |
3249 |
3078 |
0.00 |
|
|
|
| 11 |
B3g |
1239 |
1174 |
0.00 |
|
|
|
| 12 |
B3u |
968 |
917 |
75.33 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11214.9 cm
-1
Scaled (by 0.9473) Zero Point Vibrational Energy (zpe) 10623.8 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.