Vibrational Frequencies calculated at CCSD=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 |
A1 |
3102 |
3102 |
49.71 |
|
|
|
| 2 |
A1 |
1552 |
1552 |
5.36 |
|
|
|
| 3 |
A1 |
1148 |
1148 |
109.10 |
|
|
|
| 4 |
A1 |
540 |
540 |
5.81 |
|
|
|
| 5 |
A2 |
1295 |
1295 |
0.00 |
|
|
|
| 6 |
B1 |
3172 |
3172 |
63.13 |
|
|
|
| 7 |
B1 |
1198 |
1198 |
26.62 |
|
|
|
| 8 |
B2 |
1497 |
1497 |
44.06 |
|
|
|
| 9 |
B2 |
1169 |
1169 |
218.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7336.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7336.5 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.