Vibrational Frequencies calculated at CCSD(T)/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 |
3074 |
3009 |
|
|
|
|
| 2 |
A1 |
2644 |
2588 |
|
|
|
|
| 3 |
A1 |
1330 |
1302 |
|
|
|
|
| 4 |
A1 |
1169 |
1144 |
|
|
|
|
| 5 |
A1 |
892 |
873 |
|
|
|
|
| 6 |
A2 |
301 |
295 |
|
|
|
|
| 7 |
E |
3183 |
3116 |
|
|
|
|
| 7 |
E |
3183 |
3116 |
|
|
|
|
| 8 |
E |
1984 |
1942 |
|
|
|
|
| 8 |
E |
1984 |
1942 |
|
|
|
|
| 9 |
E |
1469 |
1438 |
|
|
|
|
| 9 |
E |
1469 |
1438 |
|
|
|
|
| 10 |
E |
1274 |
1247 |
|
|
|
|
| 10 |
E |
1272 |
1246 |
|
|
|
|
| 11 |
E |
1092 |
1069 |
|
|
|
|
| 11 |
E |
1092 |
1069 |
|
|
|
|
| 12 |
E |
839 |
822 |
|
|
|
|
| 12 |
E |
839 |
821 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14545.7 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 14237.4 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.