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 |
2762 |
2623 |
106.04 |
|
|
|
| 2 |
A1 |
1182 |
1122 |
114.62 |
|
|
|
| 3 |
A1 |
543 |
516 |
21.53 |
|
|
|
| 4 |
B1 |
951 |
903 |
78.30 |
|
|
|
| 5 |
B2 |
1448 |
1375 |
389.62 |
|
|
|
| 6 |
B2 |
1126 |
1069 |
0.19 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4005.5 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 3803.2 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.