Vibrational Frequencies calculated at QCISD(T)/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 |
A1 |
2874 |
2726 |
|
|
|
|
| 2 |
A1 |
1487 |
1410 |
|
|
|
|
| 3 |
A1 |
1193 |
1132 |
|
|
|
|
| 4 |
A1 |
456 |
432 |
|
|
|
|
| 5 |
E |
2888 |
2739 |
|
|
|
|
| 5 |
E |
2887 |
2739 |
|
|
|
|
| 6 |
E |
1497 |
1420 |
|
|
|
|
| 6 |
E |
1497 |
1420 |
|
|
|
|
| 7 |
E |
1186 |
1125 |
|
|
|
|
| 7 |
E |
1185 |
1124 |
|
|
|
|
| 8 |
E |
112 |
106 |
|
|
|
|
| 8 |
E |
107 |
102 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8684.1 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 8237.8 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.