Vibrational Frequencies calculated at MP2/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 |
777 |
738 |
6.13 |
|
|
|
| 2 |
A |
643 |
611 |
7.93 |
|
|
|
| 3 |
A |
337 |
320 |
0.09 |
|
|
|
| 4 |
A |
119 |
113 |
0.34 |
|
|
|
| 5 |
B |
696 |
661 |
15.34 |
|
|
|
| 6 |
B |
456 |
433 |
0.75 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1514.3 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1437.8 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.