Vibrational Frequencies calculated at CCSD=FULL/cc-pVQZ
| 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 |
3925 |
3925 |
65.06 |
|
|
|
| 2 |
A |
3321 |
3321 |
9.10 |
|
|
|
| 3 |
A |
3182 |
3182 |
17.57 |
|
|
|
| 4 |
A |
1520 |
1520 |
9.72 |
|
|
|
| 5 |
A |
1394 |
1394 |
31.53 |
|
|
|
| 6 |
A |
1237 |
1237 |
101.42 |
|
|
|
| 7 |
A |
1080 |
1080 |
45.94 |
|
|
|
| 8 |
A |
594 |
594 |
80.00 |
|
|
|
| 9 |
A |
420 |
420 |
62.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8336.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8336.5 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.