Vibrational Frequencies calculated at CCSD(T)/aug-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 |
358 |
347 |
|
|
|
|
| 2 |
Ag |
659 |
639 |
|
|
|
|
| 3 |
B1u |
665 |
645 |
|
|
|
|
| 4 |
B2u |
566 |
549 |
|
|
|
|
| 5 |
B3g |
558 |
542 |
|
|
|
|
| 6 |
B3u |
287 |
278 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1546.0 cm
-1
Scaled (by 0.9699) Zero Point Vibrational Energy (zpe) 1499.4 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.