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 |
A1 |
3059 |
2905 |
0.25 |
|
|
|
| 2 |
A1 |
2132 |
2025 |
26.53 |
|
|
|
| 3 |
A1 |
1417 |
1346 |
23.65 |
|
|
|
| 4 |
B1 |
1164 |
1105 |
30.47 |
|
|
|
| 5 |
B2 |
3129 |
2971 |
6.44 |
|
|
|
| 6 |
B2 |
953 |
905 |
9.61 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5927.2 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 5627.9 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.