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 |
2869 |
2764 |
|
|
|
|
| 2 |
A1 |
1493 |
1438 |
|
|
|
|
| 3 |
A1 |
1218 |
1173 |
|
|
|
|
| 4 |
A1 |
485 |
468 |
|
|
|
|
| 5 |
E |
2890 |
2784 |
|
|
|
|
| 5 |
E |
2890 |
2784 |
|
|
|
|
| 6 |
E |
1484 |
1429 |
|
|
|
|
| 6 |
E |
1484 |
1429 |
|
|
|
|
| 7 |
E |
1187 |
1144 |
|
|
|
|
| 7 |
E |
1187 |
1143 |
|
|
|
|
| 8 |
E |
135 |
130 |
|
|
|
|
| 8 |
E |
135 |
130 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8728.6 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 8407.4 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.