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 |
A1 |
1798 |
1732 |
|
|
|
|
| 2 |
A1 |
1041 |
1003 |
|
|
|
|
| 3 |
A1 |
628 |
605 |
|
|
|
|
| 4 |
A1 |
435 |
419 |
|
|
|
|
| 5 |
A1 |
257 |
248 |
|
|
|
|
| 6 |
A2 |
156 |
150 |
|
|
|
|
| 7 |
B1 |
579 |
558 |
|
|
|
|
| 8 |
B1 |
320 |
308 |
|
|
|
|
| 9 |
B2 |
1372 |
1321 |
|
|
|
|
| 10 |
B2 |
1003 |
966 |
|
|
|
|
| 11 |
B2 |
459 |
442 |
|
|
|
|
| 12 |
B2 |
184 |
177 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4115.1 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 3963.7 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.