Vibrational Frequencies calculated at CCSD(T)=FULL/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 |
3169 |
3052 |
|
|
|
|
| 2 |
Ag |
1673 |
1612 |
|
|
|
|
| 3 |
Ag |
1359 |
1309 |
|
|
|
|
| 4 |
Au |
1032 |
994 |
|
|
|
|
| 5 |
B1u |
3150 |
3034 |
|
|
|
|
| 6 |
B1u |
1461 |
1408 |
|
|
|
|
| 7 |
B2g |
912 |
878 |
|
|
|
|
| 8 |
B2u |
3266 |
3145 |
|
|
|
|
| 9 |
B2u |
819 |
788 |
|
|
|
|
| 10 |
B3g |
3239 |
3120 |
|
|
|
|
| 11 |
B3g |
1228 |
1183 |
|
|
|
|
| 12 |
B3u |
951 |
916 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11129.5 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 10719.9 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.