Vibrational Frequencies calculated at CCSD=FULL/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 |
A |
3824 |
3625 |
4.78 |
|
|
|
| 2 |
A |
1436 |
1362 |
34.02 |
|
|
|
| 3 |
A |
967 |
917 |
4.38 |
|
|
|
| 4 |
A |
558 |
529 |
28.14 |
|
|
|
| 5 |
A |
365 |
346 |
121.61 |
|
|
|
| 6 |
B |
3819 |
3620 |
66.39 |
|
|
|
| 7 |
B |
1445 |
1370 |
50.46 |
|
|
|
| 8 |
B |
912 |
864 |
50.59 |
|
|
|
| 9 |
B |
421 |
399 |
108.21 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6873.0 cm
-1
Scaled (by 0.9481) Zero Point Vibrational Energy (zpe) 6516.3 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.